Imbalanced image datasets are commonly available in the domain of biomedical image analysis. Biomedical images contain diversified features that are significant in predicting targeted diseases. Generative Adversarial Networks (GANs) are utilized to address the data limitation problem via the generation of synthetic images. Training challenges such as mode collapse, non-convergence, and instability degrade a GAN's performance in synthesizing diversified and high-quality images. In this work, MSG-SAGAN, an attention-guided multi-scale gradient GAN architecture is proposed to model the relationship between long-range dependencies of biomedical image features and improves the training performance using a flow of multi-scale gradients at multiple resolutions in the layers of generator and discriminator models. The intent is to reduce the impact of mode collapse and stabilize the training of GAN using an attention mechanism with multi-scale gradient learning for diversified X-ray image synthesis. Multi-scale Structural Similarity Index Measure (MS-SSIM) and Frechet Inception Distance (FID) are used to identify the occurrence of mode collapse and evaluate the diversity of synthetic images generated. The proposed architecture is compared with the multi-scale gradient GAN (MSG-GAN) to assess the diversity of generated synthetic images. Results indicate that the MSG-SAGAN outperforms MSG-GAN in synthesizing diversified images as evidenced by the MS-SSIM and FID scores.  ( 2 min )

The phenomenon of data distribution evolving over time has been observed in a range of applications, calling the needs of adaptive learning algorithms. We thus study the problem of supervised gradual domain adaptation, where labeled data from shifting distributions are available to the learner along the trajectory, and we aim to learn a classifier on a target data distribution of interest. Under this setting, we provide the first generalization upper bound on the learning error under mild assumptions. Our results are algorithm agnostic, general for a range of loss functions, and only depend linearly on the averaged learning error across the trajectory. This shows significant improvement compared to the previous upper bound for unsupervised gradual domain adaptation, where the learning error on the target domain depends exponentially on the initial error on the source domain. Compared with the offline setting of learning from multiple domains, our results also suggest the potential benefits of the temporal structure among different domains in adapting to the target one. Empirically, our theoretical results imply that learning proper representations across the domains will effectively mitigate the learning errors. Motivated by these theoretical insights, we propose a min-max learning objective to learn the representation and classifier simultaneously. Experimental results on both semi-synthetic and large-scale real datasets corroborate our findings and demonstrate the effectiveness of our objectives.  ( 2 min )

Nowadays, many people worldwide suffer from brain disorders, and their health is in danger. So far, numerous methods have been proposed for the diagnosis of Schizophrenia (SZ) and attention deficit hyperactivity disorder (ADHD), among which functional magnetic resonance imaging (fMRI) modalities are known as a popular method among physicians. This paper presents an SZ and ADHD intelligent detection method of resting-state fMRI (rs-fMRI) modality using a new deep learning method. The University of California Los Angeles dataset, which contains the rs-fMRI modalities of SZ and ADHD patients, has been used for experiments. The FMRIB software library toolbox first performed preprocessing on rs-fMRI data. Then, a convolutional Autoencoder model with the proposed number of layers is used to extract features from rs-fMRI data. In the classification step, a new fuzzy method called interval type-2 fuzzy regression (IT2FR) is introduced and then optimized by genetic algorithm, particle swarm optimization, and gray wolf optimization (GWO) techniques. Also, the results of IT2FR methods are compared with multilayer perceptron, k-nearest neighbors, support vector machine, random forest, and decision tree, and adaptive neuro-fuzzy inference system methods. The experiment results show that the IT2FR method with the GWO optimization algorithm has achieved satisfactory results compared to other classifier methods. Finally, the proposed classification technique was able to provide 72.71% accuracy.  ( 3 min )

Preference-based reinforcement learning (RL) algorithms help avoid the pitfalls of hand-crafted reward functions by distilling them from human preference feedback, but they remain impractical due to the burdensome number of labels required from the human, even for relatively simple tasks. In this work, we demonstrate that encoding environment dynamics in the reward function (REED) dramatically reduces the number of preference labels required in state-of-the-art preference-based RL frameworks. We hypothesize that REED-based methods better partition the state-action space and facilitate generalization to state-action pairs not included in the preference dataset. REED iterates between encoding environment dynamics in a state-action representation via a self-supervised temporal consistency task, and bootstrapping the preference-based reward function from the state-action representation. Whereas prior approaches train only on the preference-labelled trajectory pairs, REED exposes the state-action representation to all transitions experienced during policy training. We explore the benefits of REED within the PrefPPO [1] and PEBBLE [2] preference learning frameworks and demonstrate improvements across experimental conditions to both the speed of policy learning and the final policy performance. For example, on quadruped-walk and walker-walk with 50 preference labels, REED-based reward functions recover 83% and 66% of ground truth reward policy performance and without REED only 38\% and 21\% are recovered. For some domains, REED-based reward functions result in policies that outperform policies trained on the ground truth reward.  ( 2 min )

Large-scale detectors consisting of a liquid scintillator target surrounded by an array of photo-multiplier tubes (PMTs) are widely used in the modern neutrino experiments: Borexino, KamLAND, Daya Bay, Double Chooz, RENO, and the upcoming JUNO with its satellite detector TAO. Such apparatuses are able to measure neutrino energy which can be derived from the amount of light and its spatial and temporal distribution over PMT channels. However, achieving a fine energy resolution in large-scale detectors is challenging. In this work, we present machine learning methods for energy reconstruction in the JUNO detector, the most advanced of its type. We focus on positron events in the energy range of 0-10 MeV which corresponds to the main signal in JUNO -- neutrinos originated from nuclear reactor cores and detected via the inverse beta decay channel. We consider the following models: Boosted Decision Trees and Fully Connected Deep Neural Network, trained on aggregated features, calculated using the information collected by PMTs. We describe the details of our feature engineering procedure and show that machine learning models can provide the energy resolution $\sigma = 3\%$ at 1 MeV using subsets of engineered features. The dataset for model training and testing is generated by the Monte Carlo method with the official JUNO software.  ( 3 min )

Equivariances provide useful inductive biases in neural network modeling, with the translation equivariance of convolutional neural networks being a canonical example. Equivariances can be embedded in architectures through weight-sharing and place symmetry constraints on the functions a neural network can represent. The type of symmetry is typically fixed and has to be chosen in advance. Although some tasks are inherently equivariant, many tasks do not strictly follow such symmetries. In such cases, equivariance constraints can be overly restrictive. In this work, we propose a parameter-efficient relaxation of equivariance that can effectively interpolate between a (i) non-equivariant linear product, (ii) a strict-equivariant convolution, and (iii) a strictly-invariant mapping. The proposed parameterisation can be thought of as a building block to allow adjustable symmetry structure in neural networks. In addition, we demonstrate that the amount of equivariance can be learned from the training data using backpropagation. Gradient-based learning of equivariance achieves similar or improved performance compared to the best value found by cross-validation and outperforms baselines with partial or strict equivariance on CIFAR-10 and CIFAR-100 image classification tasks.  ( 2 min )

Considerable research attention has been paid to table detection by developing not only rule-based approaches reliant on hand-crafted heuristics but also deep learning approaches. Although recent studies successfully perform table detection with enhanced results, they often experience performance degradation when they are used for transferred domains whose table layout features might differ from the source domain in which the underlying model has been trained. To overcome this problem, we present DATa, a novel Domain Adaptation-aided deep Table detection method that guarantees satisfactory performance in a specific target domain where few trusted labels are available. To this end, we newly design lexical features and an augmented model used for re-training. More specifically, after pre-training one of state-of-the-art vision-based models as our backbone network, we re-train our augmented model, consisting of the vision-based model and the multilayer perceptron (MLP) architecture. Using new confidence scores acquired based on the trained MLP architecture as well as an initial prediction of bounding boxes and their confidence scores, we calculate each confidence score more accurately. To validate the superiority of DATa, we perform experimental evaluations by adopting a real-world benchmark dataset in a source domain and another dataset in our target domain consisting of materials science articles. Experimental results demonstrate that the proposed DATa method substantially outperforms competing methods that only utilize visual representations in the target domain. Such gains are possible owing to the capability of eliminating high false positives or false negatives according to the setting of a confidence score threshold.

Data augmentation has been widely used to improve generalization in training deep neural networks. Recent works show that using worst-case transformations or adversarial augmentation strategies can significantly improve the accuracy and robustness. However, due to the non-differentiable properties of image transformations, searching algorithms such as reinforcement learning or evolution strategy have to be applied, which are not computationally practical for large scale problems. In this work, we show that by simply applying consistency training with random data augmentation, state-of-the-art results on domain adaptation (DA) and generalization (DG) can be obtained. To further improve the accuracy and robustness with adversarial examples, we propose a differentiable adversarial data augmentation method based on spatial transformer networks (STN). The combined adversarial and random transformations based method outperforms the state-of-the-art on multiple DA and DG benchmark datasets. Besides, the proposed method shows desirable robustness to corruption, which is also validated on commonly used datasets.

Due to the variety of cyber-attacks or threats, the cybersecurity community enhances the traditional security control mechanisms to an advanced level so that automated tools can encounter potential security threats. Very recently, Cyber Threat Intelligence (CTI) has been presented as one of the proactive and robust mechanisms because of its automated cybersecurity threat prediction. Generally, CTI collects and analyses data from various sources e.g., online security forums, social media where cyber enthusiasts, analysts, even cybercriminals discuss cyber or computer security-related topics and discovers potential threats based on the analysis. As the manual analysis of every such discussion (posts on online platforms) is time-consuming, inefficient, and susceptible to errors, CTI as an automated tool can perform uniquely to detect cyber threats. In this paper, we identify and explore relevant CTI from hacker forums utilizing different supervised (classification) and unsupervised learning (topic modeling) techniques. To this end, we collect data from a real hacker forum and constructed two datasets: a binary dataset and a multi-class dataset. We then apply several classifiers along with deep neural network-based classifiers and use them on the datasets to compare their performances. We also employ the classifiers on a labeled leaked dataset as our ground truth. We further explore the datasets using unsupervised techniques. For this purpose, we leverage two topic modeling algorithms namely Latent Dirichlet Allocation (LDA) and Non-negative Matrix Factorization (NMF).

Machine learning algorithms designed to learn dynamical systems from data can be used to forecast, control and interpret the observed dynamics. In this work we exemplify the use of one of such algorithms, namely Koopman operator learning, in the context of open quantum system dynamics. We will study the dynamics of a small spin chain coupled with dephasing gates and show how Koopman operator learning is an approach to efficiently learn not only the evolution of the density matrix, but also of every physical observable associated to the system. Finally, leveraging the spectral decomposition of the learned Koopman operator, we show how symmetries obeyed by the underlying dynamics can be inferred directly from data.

We propose a novel edge guided generative adversarial network with contrastive learning (ECGAN) for the challenging semantic image synthesis task. Although considerable improvement has been achieved, the quality of synthesized images is far from satisfactory due to three largely unresolved challenges. 1) The semantic labels do not provide detailed structural information, making it difficult to synthesize local details and structures. 2) The widely adopted CNN operations such as convolution, down-sampling, and normalization usually cause spatial resolution loss and thus cannot fully preserve the original semantic information, leading to semantically inconsistent results (e.g., missing small objects). 3) Existing semantic image synthesis methods focus on modeling `local' semantic information from a single input semantic layout. However, they ignore `global' semantic information of multiple input semantic layouts, i.e., semantic cross-relations between pixels across different input layouts. To tackle 1), we propose to use edge as an intermediate representation which is further adopted to guide image generation via a proposed attention guided edge transfer module. Edge information is produced by a convolutional generator and introduces detailed structure information. To tackle 2), we design an effective module to selectively highlight class-dependent feature maps according to the original semantic layout to preserve the semantic information. To tackle 3), inspired by current methods in contrastive learning, we propose a novel contrastive learning method, which aims to enforce pixel embeddings belonging to the same semantic class to generate more similar image content than those from different classes. By doing so, it can capture more semantic relations by explicitly exploring the structures of labeled pixels from multiple input semantic layouts.

The variational lower bound (a.k.a. ELBO or free energy) is the central objective for many established as well as many novel algorithms for unsupervised learning. Learning algorithms change model parameters such that the variational lower bound increases. Learning usually proceeds until parameters have converged to values close to a stationary point of the learning dynamics. In this purely theoretical contribution, we show that (for a very large class of generative models) the variational lower bound is at all stationary points of learning equal to a sum of entropies. For standard machine learning models with one set of latents and one set observed variables, the sum consists of three entropies: (A) the (average) entropy of the variational distributions, (B) the negative entropy of the model's prior distribution, and (C) the (expected) negative entropy of the observable distributions. The obtained result applies under realistic conditions including: finite numbers of data points, at any stationary points (including saddle points) and for any family of (well behaved) variational distributions. The class of generative models for which we show the equality to entropy sums contains many well-known generative models. As concrete examples we discuss Sigmoid Belief Networks, probabilistic PCA and (Gaussian and non-Gaussian) mixture models. The prerequisites we use to show equality to entropy sums are relatively mild. Concretely, the distributions of a given generative model have to be of the exponential family (with constant base measure), and the model has to satisfy a parameterization criterion (which is usually fulfilled). Proving the equality of the ELBO to entropy sums at stationary points (under the stated conditions) is the main contribution of this work.

Soft robotic manipulators provide numerous advantages over conventional rigid manipulators in fragile environments such as the marine environment. However, developing analytic inverse models necessary for shape, motion, and force control of such robots remains a challenging problem. As an alternative to analytic models, numerical models can be learned using powerful machine learned methods. In this paper, the Kinematics Transformer is proposed for developing accurate and precise inverse kinematic models of soft robotic limbs. The proposed method re-casts the inverse kinematics problem as a sequential prediction problem and is based on the transformer architecture. Numerical simulations reveal that the proposed method can effectively be used in controlling a soft limb. Benchmark studies also reveal that the proposed method has better accuracy and precision compared to the baseline feed-forward neural network

Communication efficient distributed mean estimation is an important primitive that arises in many distributed learning and optimization scenarios such as federated learning. Without any probabilistic assumptions on the underlying data, we study the problem of distributed mean estimation where the server has access to side information. We propose \emph{Wyner-Ziv estimators}, which are communication and computationally efficient and near-optimal when an upper bound for the distance between the side information and the data is known. As a corollary, we also show that our algorithms provide efficient schemes for the classic Wyner-Ziv problem in information theory. In a different direction, when there is no knowledge assumed about the distance between side information and the data, we present an alternative Wyner-Ziv estimator that uses correlated sampling. This latter setting offers {\em universal recovery guarantees}, and perhaps will be of interest in practice when the number of users is large and keeping track of the distances between the data and the side information may not be possible. With this mean estimator at our disposal, we revisit basic problems in decentralized optimization and compression where our Wyner-Ziv estimator yields algorithms with almost optimal performance. First, we consider the problem of communication constrained distributed optimization and provide an algorithm which attains the optimal convergence rate by exploiting the fact that the gradient estimates are close to each other. Specifically, the gradient compression scheme in our algorithm first uses half of the parties to form side information and then uses our Wyner-Ziv estimator to compress the remaining half of the gradient estimates.

Lung cancer is a leading cause of death worldwide. Early-stage detection of lung cancer is essential for a more favorable prognosis. Radiogenomics is an emerging discipline that combines medical imaging and genomics features for modeling patient outcomes non-invasively. This study presents a radiogenomics pipeline that has: 1) a novel mixed architecture (RA-Seg) to segment lung cancer through attention and recurrent blocks; and 2) deep feature classifiers to distinguish Epidermal Growth Factor Receptor (EGFR) mutation status. We evaluate the proposed algorithm on multiple public datasets to assess its generalizability and robustness. We demonstrate how the proposed segmentation and classification methods outperform existing baseline and SOTA approaches (73.54 Dice and 93 F1 scores).

The heterogeneity of hardware and data is a well-known and studied problem in the community of Federated Learning (FL) as running under heterogeneous settings. Recently, custom-size client models trained with Knowledge Distillation (KD) has emerged as a viable strategy for tackling the heterogeneity challenge. However, previous efforts in this direction are aimed at client model tuning rather than their impact onto the knowledge aggregation of the global model. Despite performance of global models being the primary objective of FL systems, under heterogeneous settings client models have received more attention. Here, we provide more insights into how the chosen approach for training custom client models has an impact on the global model, which is essential for any FL application. We show the global model can fully leverage the strength of KD with heterogeneous data. Driven by empirical observations, we further propose a new approach that combines KD and Learning without Forgetting (LwoF) to produce improved personalised models. We bring heterogeneous FL on pair with the mighty FedAvg of homogeneous FL, in realistic deployment scenarios with dropping clients.

In Novel Class Discovery (NCD), the goal is to find new classes in an unlabeled set given a labeled set of known but different classes. While NCD has recently gained attention from the community, no framework has yet been proposed for heterogeneous tabular data, despite being a very common representation of data. In this paper, we propose TabularNCD, a new method for discovering novel classes in tabular data. We show a way to extract knowledge from already known classes to guide the discovery process of novel classes in the context of tabular data which contains heterogeneous variables. A part of this process is done by a new method for defining pseudo labels, and we follow recent findings in Multi-Task Learning to optimize a joint objective function. Our method demonstrates that NCD is not only applicable to images but also to heterogeneous tabular data. Extensive experiments are conducted to evaluate our method and demonstrate its effectiveness against 3 competitors on 7 diverse public classification datasets.

Self-supervised learning (SSL) enables learning useful inductive biases through utilizing pretext tasks that require no labels. The unlabeled nature of SSL makes it especially important for whole slide histopathological images (WSIs), where patch-level human annotation is difficult. Masked Autoencoders (MAE) is a recent SSL method suitable for digital pathology as it does not require negative sampling and requires little to no data augmentations. However, the domain shift between natural images and digital pathology images requires further research in designing MAE for patch-level WSIs. In this paper, we investigate several design choices for MAE in histopathology. Furthermore, we introduce a multi-modal MAE (MMAE) that leverages the specific compositionality of Hematoxylin & Eosin (H&E) stained WSIs. We performed our experiments on the public patch-level dataset NCT-CRC-HE-100K. The results show that the MMAE architecture outperforms supervised baselines and other state-of-the-art SSL techniques for an eight-class tissue phenotyping task, utilizing only 100 labeled samples for fine-tuning. Our code is available at https://github.com/wisdomikezogwo/MMAE_Pathology

Deep learning based image quality assessment (IQA) models usually learn to predict image quality from a single dataset, leading the model to overfit specific scenes. To account for this, mixed datasets training can be an effective way to enhance the generalization capability of the model. However, it is nontrivial to combine different IQA datasets, as their quality evaluation criteria, score ranges, view conditions, as well as subjects are usually not shared during the image quality annotation. In this paper, instead of aligning the annotations, we propose a monotonic neural network for IQA model learning with different datasets combined. In particular, our model consists of a dataset-shared quality regressor and several dataset-specific quality transformers. The quality regressor aims to obtain the perceptual qualities of each dataset while each quality transformer maps the perceptual qualities to the corresponding dataset annotations with their monotonicity maintained. The experimental results verify the effectiveness of the proposed learning strategy and our code is available at https://github.com/fzp0424/MonotonicIQA.

Graph Neural Network (GNN) with its ability to integrate graph information has been widely used for data analyses. However, the expressive power of GNN has only been studied for graph-level tasks but not for node-level tasks, such as node classification, where one tries to interpolate missing nodal labels from the observed ones. In this paper, we study the expressive power of GNN for the said classification task, which is in essence a function interpolation problem. Explicitly, we derive the number of weights and layers needed for a GNN to interpolate a band-limited function in $\mathbb{R}^d$. Our result shows that, the number of weights needed to $\epsilon$-approximate a bandlimited function using the GNN architecture is much fewer than the best known one using a fully connected neural network (NN) - in particular, one only needs $O((\log \epsilon^{-1})^{d})$ weights using a GNN trained by $O((\log \epsilon^{-1})^{d})$ samples to $\epsilon$-approximate a discretized bandlimited signal in $\mathbb{R}^d$. The result is obtained by drawing a connection between the GNN structure and the classical sampling theorems, making our work the first attempt in this direction.

Empirical evaluation of deep learning models against adversarial attacks entails solving nontrivial constrained optimization problems. Popular algorithms for solving these constrained problems rely on projected gradient descent (PGD) and require careful tuning of multiple hyperparameters. Moreover, PGD can only handle $\ell_1$, $\ell_2$, and $\ell_\infty$ attack models due to the use of analytical projectors. In this paper, we introduce a novel algorithmic framework that blends a general-purpose constrained-optimization solver PyGRANSO, With Constraint-Folding (PWCF), to add reliability and generality to robustness evaluation. PWCF 1) finds good-quality solutions without the need of delicate hyperparameter tuning, and 2) can handle general attack models, e.g., general $\ell_p$ ($p \geq 0$) and perceptual attacks, which are inaccessible to PGD-based algorithms.  ( 2 min )

We study how effective data augmentation is at capturing the inductive bias of carefully designed network architectures for spatial translation invariance. We evaluate various image classification architectures (antialiased, convolutional, vision transformer, and fully connected MLP networks) and data augmentation techniques towards generalization to large translation shifts. We observe that: (a) without data augmentation, all architectures, including convolutional networks with antialiased modification suffer some degradation in performance when evaluated on translated test distributions. Understandably, both the in-distribution accuracy and degradation to shifts is significantly worse for non-convolutional models. (b) The robustness of performance is improved by even a minimal augmentation of $4$ pixel random crop across all architectures. In some instances, even $1-2$ pixel random crop is sufficient. This suggests that there is a form of meta generalization from augmentation. For non-convolutional architectures, while the absolute accuracy is still low with this basic augmentation, we see substantial improvements in robustness to translation shifts. (c) With a sufficiently advanced augmentation pipeline ($4$ pixel crop+RandAugmentation+Erasing+MixUp), all architectures can be trained to have competitive performance in terms of in-distribution accuracy as well as generalization to large translation shifts.

The state identification problem seeks to identify power usage patterns of any system, like buildings or factories, of interest. In this challenge paper, we make power usage dataset available from 8 institutions in manufacturing, education and medical institutions from the US and India, and an initial un-supervised machine learning based solution as a baseline for the community to accelerate research in this area.

Imposing explicit constraints is relatively new but increasingly pressing in deep learning, stimulated by, e.g., trustworthy AI that performs robust optimization over complicated perturbation sets and scientific applications that need to respect physical laws and constraints. However, it can be hard to reliably solve constrained deep learning problems without optimization expertise. The existing deep learning frameworks do not admit constraints. General-purpose optimization packages can handle constraints but do not perform auto-differentiation and have trouble dealing with nonsmoothness. In this paper, we introduce a new software package called NCVX, whose initial release contains the solver PyGRANSO, a PyTorch-enabled general-purpose optimization package for constrained machine/deep learning problems, the first of its kind. NCVX inherits auto-differentiation, GPU acceleration, and tensor variables from PyTorch, and is built on freely available and widely used open-source frameworks. NCVX is available at https://ncvx.org, with detailed documentation and numerous examples from machine/deep learning and other fields.

Artistic style transfer is usually performed between two images, a style image and a content image. Recently, a model named CLIPstyler demonstrated that a natural language description of style could replace the necessity of a reference style image. However, their technique requires a lengthy optimisation procedure at run-time for each query, requiring multiple forward and backward passes through a network as well as expensive loss computations. In this work, we create a generalised text-based style transfer network capable of stylising images in a single forward pass for an arbitrary text input making the image stylisation process around 1000 times more efficient than CLIPstyler. We also demonstrate how our technique eliminates the issue of leakage of unwanted artefacts into some of the generated images from CLIPstyler, making them unusable. We also propose an optional fine-tuning step to improve the quality of the generated image. We qualitatively evaluate the performance of our framework and show that it can generate images of comparable quality to state-of-the-art techniques.

We prove \emph{almost sure convergence rates} of Stochastic Zeroth-order Gradient Descent (SZGD) algorithms for \L ojasiewicz functions. The SZGD algorithm iterates as \begin{align*} x_{t+1} = x_t - \eta_t \widehat{\nabla} f (x_t), \qquad t = 0,1,2,3,\cdots , \end{align*} where $f$ is the objective function that satisfies the \L ojasiewicz inequality with \L ojasiewicz exponent $\theta$, $\eta_t$ is the step size (learning rate), and $ \widehat{\nabla} f (x_t) $ is the approximate gradient estimated using zeroth-order information. We show that, for {smooth} \L ojasiewicz functions, the sequence $\{ x_t \}_{t\in\mathbb{N}}$ generated by SZGD converges to a bounded point $x_\infty$ almost surely, and $x_\infty$ is a critical point of $f$. If $\theta \in (0,\frac{1}{2}]$, $ f (x_t) - f (x_\infty) $, $ \sum_{s=t}^\infty \| x_{s+1} - x_{s} \|^2$ and $ \| x_t - x_\infty \| $ ($\| \cdot \|$ is the Euclidean norm) converge to zero \emph{linearly almost surely}. If $\theta \in (\frac{1}{2}, 1)$, then $ f (x_t) - f (x_\infty) $ (and $ \sum_{s=t}^\infty \| x_{s+1} - x_s \|^2 $) converges to zero at rate $O \left( t^{\frac{1}{1 - 2\theta}} \right) $ almost surely; $ \| x_{t} - x_\infty \| $ converges to zero at rate $O \left( t^{\frac{1-\theta}{1-2\theta}} \right) $ almost surely. To the best of our knowledge, this paper provides the first \emph{almost sure convergence rate} guarantee for stochastic zeroth order algorithms for \L ojasiewicz functions.

Next generation cellular networks will implement radio sensing functions alongside customary communications, thereby enabling unprecedented worldwide sensing coverage outdoors. Deep learning has revolutionised computer vision but has had limited application to radio perception tasks, in part due to lack of systematic datasets and benchmarks dedicated to the study of the performance and promise of radio sensing. To address this gap, we present MaxRay: a synthetic radio-visual dataset and benchmark that facilitate precise target localisation in radio. We further propose to learn to localise targets in radio without supervision by extracting self-coordinates from radio-visual correspondence. We use such self-supervised coordinates to train a radio localiser network. We characterise our performance against a number of state-of-the-art baselines. Our results indicate that accurate radio target localisation can be automatically learned from paired radio-visual data without labels, which is important for empirical data. This opens the door for vast data scalability and may prove key to realising the promise of robust radio sensing atop a unified communication-perception cellular infrastructure. Dataset will be hosted on IEEE DataPort.

Emergency Departments (EDs) are a fundamental element of the Portuguese National Health Service, serving as an entry point for users with diverse and very serious medical problems. Due to the inherent characteristics of the ED; forecasting the number of patients using the services is particularly challenging. And a mismatch between the affluence and the number of medical professionals can lead to a decrease in the quality of the services provided and create problems that have repercussions for the entire hospital, with the requisition of health care workers from other departments and the postponement of surgeries. ED overcrowding is driven, in part, by non-urgent patients, that resort to emergency services despite not having a medical emergency and which represent almost half of the total number of daily patients. This paper describes a novel deep learning architecture, the Temporal Fusion Transformer, that uses calendar and time-series covariates to forecast prediction intervals and point predictions for a 4 week period. We have concluded that patient volume can be forecasted with a Mean Absolute Percentage Error (MAPE) of 5.90% for Portugal's Health Regional Areas (HRA) and a Root Mean Squared Error (RMSE) of 84.4102 people/day. The paper shows empirical evidence supporting the use of a multivariate approach with static and time-series covariates while surpassing other models commonly found in the literature.

In the last few years, various types of machine learning algorithms, such as Support Vector Machine (SVM), Support Vector Regression (SVR), and Non-negative Matrix Factorization (NMF) have been introduced. The kernel approach is an effective method for increasing the classification accuracy of machine learning algorithms. This paper introduces a family of one-parameter kernel functions for improving the accuracy of SVM classification. The proposed kernel function consists of a trigonometric term and differs from all existing kernel functions. We show this function is a positive definite kernel function. Finally, we evaluate the SVM method based on the new trigonometric kernel, the Gaussian kernel, the polynomial kernel, and a convex combination of the new kernel function and the Gaussian kernel function on various types of datasets. Empirical results show that the SVM based on the new trigonometric kernel function and the mixed kernel function achieve the best classification accuracy. Moreover, some numerical results of performing the SVR based on the new trigonometric kernel function and the mixed kernel function are presented.

Deep neural networks (DNNs) are known to be vulnerable to adversarial examples that are crafted with imperceptible perturbations, i.e., a small change in an input image can induce a mis-classification, and thus threatens the reliability of deep learning based deployment systems. Adversarial training (AT) is often adopted to improve robustness through training a mixture of corrupted and clean data. However, most of AT based methods are ineffective in dealing with transferred adversarial examples which are generated to fool a wide spectrum of defense models, and thus cannot satisfy the generalization requirement raised in real-world scenarios. Moreover, adversarially training a defense model in general cannot produce interpretable predictions towards the inputs with perturbations, whilst a highly interpretable robust model is required by different domain experts to understand the behaviour of a DNN. In this work, we propose a novel approach based on Jacobian norm and Selective Input Gradient Regularization (J-SIGR), which suggests the linearized robustness through Jacobian normalization and also regularizes the perturbation-based saliency maps to imitate the model's interpretable predictions. As such, we achieve both the improved defense and high interpretability of DNNs. Finally, we evaluate our method across different architectures against powerful adversarial attacks. Experiments demonstrate that the proposed J-SIGR confers improved robustness against transferred adversarial attacks, and we also show that the predictions from the neural network are easy to interpret.

In this paper we introduce "Federated Learning Utilities and Tools for Experimentation" (FLUTE), a high-performance open-source platform for federated learning research and offline simulations. The goal of FLUTE is to enable rapid prototyping and simulation of new federated learning algorithms at scale, including novel optimization, privacy, and communications strategies. We describe the architecture of FLUTE, enabling arbitrary federated modeling schemes to be realized. We compare the platform with other state-of-the-art platforms and describe available features of FLUTE for experimentation in core areas of active research, such as optimization, privacy, and scalability. A comparison with other established platforms shows speed-ups of up to 42x and savings in memory footprint of 3x. A sample of the platform capabilities is also presented for a range of tasks, as well as other functionality, such as linear scaling for the number of participating clients, and a variety of federated optimizers, including FedAdam, DGA, etcetera.

As the popularity of graph data increases, there is a growing need to count the occurrences of subgraph patterns of interest, for a variety of applications. Many graphs are massive in scale and also fully dynamic (with insertions and deletions of edges), rendering exact computation of these counts to be infeasible. Common practice is, instead, to use a small set of edges as a sample to estimate the counts. Existing sampling algorithms for fully dynamic graphs sample the edges with uniform probability. In this paper, we show that we can do much better if we sample edges based on their individual properties. Specifically, we propose a weighted sampling algorithm called WSD for estimating the subgraph count in a fully dynamic graph stream, which samples the edges based on their weights that indicate their importance and reflect their properties. We determine the weights of edges in a data-driven fashion, using a novel method based on reinforcement learning. We conduct extensive experiments to verify that our technique can produce estimates with smaller errors while often running faster compared with existing algorithms.

This paper explores the problem of simultaneously learning a value function and policy in deep actor-critic reinforcement learning models. We find that the common practice of learning these functions jointly is sub-optimal, due to an order-of-magnitude difference in noise levels between these two tasks. Instead, we show that learning these tasks independently, but with a constrained distillation phase, significantly improves performance. Furthermore, we find that the policy gradient noise levels can be decreased by using a lower \textit{variance} return estimate. Whereas, the value learning noise level decreases with a lower \textit{bias} estimate. Together these insights inform an extension to Proximal Policy Optimization we call \textit{Dual Network Architecture} (DNA), which significantly outperforms its predecessor. DNA also exceeds the performance of the popular Rainbow DQN algorithm on four of the five environments tested, even under more difficult stochastic control settings.

Data valuation, or the valuation of individual datum contributions, has seen growing interest in machine learning due to its demonstrable efficacy for tasks such as noisy label detection. In particular, due to the desirable axiomatic properties, several Shapley value approximation methods have been proposed. In these methods, the value function is typically defined as the predictive accuracy over the entire development set. However, this limits the ability to differentiate between training instances that are helpful or harmful to their own classes. Intuitively, instances that harm their own classes may be noisy or mislabeled and should receive a lower valuation than helpful instances. In this work, we propose CS-Shapley, a Shapley value with a new value function that discriminates between training instances' in-class and out-of-class contributions. Our theoretical analysis shows the proposed value function is (essentially) the unique function that satisfies two desirable properties for evaluating data values in classification. Further, our experiments on two benchmark evaluation tasks (data removal and noisy label detection) and four classifiers demonstrate the effectiveness of CS-Shapley over existing methods. Lastly, we evaluate the "transferability" of data values estimated from one classifier to others, and our results suggest Shapley-based data valuation is transferable for application across different models.

This paper provides a theoretical framework on the solution of feedforward ReLU networks for interpolations, in terms of what is called an interpolation matrix, which is the summary, extension and generalization of our three preceding works, with the expectation that the solution of engineering could be included in this framework and finally understood. To three-layer networks, we classify different kinds of solutions and model them in a normalized form; the solution finding is investigated by three dimensions, including data, networks and the training; the mechanism of a type of overparameterization solution is interpreted. To deep-layer networks, we present a general result called sparse-matrix principle, which could describe some basic behavior of deep layers and explain the phenomenon of the sparse-activation mode that appears in engineering applications associated with brain science; an advantage of deep layers compared to shallower ones is manifested in this principle. As applications, a general solution of deep neural networks for classifications is constructed by that principle; and we also use the principle to study the data-disentangling property of encoders. Analogous to the three-layer case, the solution of deep layers is also explored through several dimensions. The mechanism of multi-output neural networks is explained from the perspective of interpolation matrices.

X-risk is a term introduced to represent a family of compositional measures or objectives, in which each data point is compared with a large number of items explicitly or implicitly for defining a risk function. It includes many widely used measures or objectives, e.g., AUROC, AUPRC, partial AUROC, NDCG, MAP, top-$K$ NDCG, top-$K$ MAP, listwise losses, p-norm push, top push, precision/recall at top $K$ positions, precision at a certain recall level, contrastive objectives, etc. While these non-decomposable measures/objectives and their optimization algorithms have been studied in the literature of machine learning, computer vision, information retrieval, and etc, optimizing these measures/objectives has encountered some unique challenges for deep learning. In this paper, we survey recent rigorous efforts for deep X-risk optimization (DXO) by focusing on its algorithmic foundation. We introduce a class of techniques for optimizing X-risks for deep learning. We formulate DXO into three special families of non-convex optimization problems belonging to non-convex min-max optimization, non-convex compositional optimization, and non-convex bilevel optimization, respectively. For each family of problems, we present some strong baseline algorithms and their complexities, which will motivate further research for improving the existing results. Discussions about the presented results and future studies are given at the end. Efficient algorithms for optimizing a variety of X-risks are implemented in the LibAUC library at www.libauc.org.

In the mobile-edge-cloud continuum, a plethora of heterogeneous data sources and computation-capable nodes are available. Such nodes can cooperate to perform a distributed learning task, aided by a learning controller (often located at the network edge). The controller is required to make decisions concerning (i) data selection, i.e., which data sources to use; (ii) model selection, i.e., which machine learning model to adopt, and (iii) matching between the layers of the model and the available physical nodes. All these decisions influence each other, to a significant extent and often in counter-intuitive ways. In this paper, we formulate a problem addressing all of the above aspects and present a solution concept called RightTrain, aiming at making the aforementioned decisions in a joint manner, minimizing energy consumption subject to learning quality and latency constraints. RightTrain leverages an expanded-graph representation of the system and a delay-aware Steiner tree to obtain a provably near-optimal solution while keeping the time complexity low. Specifically, it runs in polynomial time and its decisions exhibit a competitive ratio of $2(1+\epsilon)$, outperforming state-of-the-art solutions by over 50%. Our approach is also validated through a real-world implementation.

Equipping artificial agents with useful exploration mechanisms remains a challenge to this day. Humans, on the other hand, seem to manage the trade-off between exploration and exploitation effortlessly. In the present article, we put forward the hypothesis that they accomplish this by making optimal use of limited computational resources. We study this hypothesis by meta-learning reinforcement learning algorithms that sacrifice performance for a shorter description length (defined as the number of bits required to implement the given algorithm). The emerging class of models captures human exploration behavior better than previously considered approaches, such as Boltzmann exploration, upper confidence bound algorithms, and Thompson sampling. We additionally demonstrate that changing the description length in our class of models produces the intended effects: reducing description length captures the behavior of brain-lesioned patients while increasing it mirrors cognitive development during adolescence.  ( 2 min )

Self-supervised learning (SSL) has proven vital in speech and audio-related applications. The paradigm trains a general model on unlabeled data that can later be used to solve specific downstream tasks. This type of model is costly to train as it requires manipulating long input sequences that can only be handled by powerful centralised servers. Surprisingly, despite many attempts to increase training efficiency through model compression, the effects of truncating input sequence lengths to reduce computation have not been studied. In this paper, we provide the first empirical study of SSL pre-training for different specified sequence lengths and link this to various downstream tasks. We find that training on short sequences can dramatically reduce resource costs while retaining a satisfactory performance for all tasks. This simple one-line change would promote the migration of SSL training from data centres to user-end edge devices for more realistic and personalised applications.

Deep learning has been widely applied in neuroimaging, including predicting brain-phenotype relationships from magnetic resonance imaging (MRI) volumes. MRI data usually requires extensive preprocessing prior to modeling, but variation introduced by different MRI preprocessing pipelines may lead to different scientific findings, even when using the identical data. Motivated by the data-centric perspective, we first evaluate how preprocessing pipeline selection can impact the downstream performance of a supervised learning model. We next propose two pipeline-invariant representation learning methodologies, MPSL and PXL, to improve consistency in classification performance and to capture similar neural network representations. Using 2000 human subjects from the UK Biobank dataset, we demonstrate that both models present unique advantages, in particular that MPSL can be used to improve out-of-sample generalization to new pipelines, while PXL can be used to improve predictive performance consistency and representational similarity. These results suggest that our proposed models can be applied to overcome pipeline-related biases, and to improve prediction consistency and robustness in brain-phenotype modeling.

Integrating functions on discrete domains into neural networks is key to developing their capability to reason about discrete objects. But, discrete domains are (1) not naturally amenable to gradient-based optimization, and (2) incompatible with deep learning architectures that rely on representations in high-dimensional vector spaces. In this work, we address both difficulties for set functions, which capture many important discrete problems. First, we develop a framework for extending set functions onto low-dimensional continuous domains, where many extensions are naturally defined. Our framework subsumes many well-known extensions as special cases. Second, to avoid undesirable low-dimensional neural network bottlenecks, we convert low-dimensional extensions into representations in high-dimensional spaces, taking inspiration from the success of semidefinite programs for combinatorial optimization. Empirically, we observe benefits of our extensions for unsupervised neural combinatorial optimization, in particular with high-dimensional representations.

A variety of different performance metrics are commonly used in the machine learning literature for the evaluation of classification systems. Some of the most common ones for measuring quality of hard decisions are standard and balanced accuracy, standard and balanced error rate, F-beta score, and Matthews correlation coefficient (MCC). In this document, we review the definition of these and other metrics and compare them with the expected cost (EC), a metric introduced in every statistical learning course but rarely used in the machine learning literature. We show that both the standard and balanced error rates are special cases of the EC. Further, we show its relation with F-score and MCC and argue that EC is superior to these traditional metrics, being more elegant, general, and intuitive, as well as being based on basic principles from statistics. The metrics above measure the quality of hard decisions. Yet, most modern classification systems output continuous scores for the classes which we may want to evaluate directly. Metrics for measuring the quality of system scores include the area under the ROC curve, equal error rate, cross-entropy, Brier score, and Bayes EC or Bayes risk, among others. The last three metrics are special cases of a family of metrics given by the expected value of proper scoring rules (PSRs). We review the theory behind these metrics and argue that they are the most principled way to measure the quality of the posterior probabilities produced by a system. Finally, we show how to use these metrics to compute the system's calibration loss and compare this metric with the standard expected calibration error (ECE), arguing that calibration loss based on PSRs is superior to the ECE for a variety of reasons.

We propose Adaptive Deep Kernel Fitting with Implicit Function Theorem (ADKF-IFT), a novel framework for learning deep kernel Gaussian processes (GPs) by interpolating between meta-learning and conventional deep kernel learning. Our approach employs a bilevel optimization objective where we meta-learn generally useful feature representations across tasks, in the sense that task-specific GP models estimated on top of such features achieve the lowest possible predictive loss on average. We solve the resulting nested optimization problem using the implicit function theorem (IFT). We show that our ADKF-IFT framework contains previously proposed Deep Kernel Learning (DKL) and Deep Kernel Transfer (DKT) as special cases. Although ADKF-IFT is a completely general method, we argue that it is especially well-suited for drug discovery problems and demonstrate that it significantly outperforms previous state-of-the-art methods on a variety of real-world few-shot molecular property prediction tasks and out-of-domain molecular property prediction and optimization tasks.

Diffusion models have been recently studied as powerful generative inverse problem solvers, owing to their high quality reconstructions and the ease of combining existing iterative solvers. However, most works focus on solving simple linear inverse problems in noiseless settings, which significantly under-represents the complexity of real-world problems. In this work, we extend diffusion solvers to efficiently handle general noisy (non)linear inverse problems via approximation of the posterior sampling. Interestingly, the resulting posterior sampling scheme is a blended version of diffusion sampling with the manifold constrained gradient without a strict measurement consistency projection step, yielding a more desirable generative path in noisy settings compared to the previous studies. Our method demonstrates that diffusion models can incorporate various measurement noise statistics such as Gaussian and Poisson, and also efficiently handle noisy nonlinear inverse problems such as Fourier phase retrieval and non-uniform deblurring.

This paper proposes a theoretical framework on the mechanism of autoencoders. To the encoder part, under the main use of dimensionality reduction, we investigate its two fundamental properties: bijective maps and data disentangling. The general construction methods of an encoder that satisfies either or both of the above two properties are given. The generalization mechanism of autoencoders is modeled. Based on the theoretical framework above, we explain some experimental results of variational autoencoders, denoising autoencoders, and linear-unit autoencoders, with emphasis on the interpretation of the lower-dimensional representation of data via encoders; and the mechanism of image restoration through autoencoders is natural to be understood by those explanations. Compared to PCA and decision trees, the advantages of (generalized) autoencoders on dimensionality reduction and classification are demonstrated, respectively. Convolutional neural networks and randomly weighted neural networks are also interpreted by this framework.

The availability of large pre-trained models is changing the landscape of Machine Learning research and practice, moving from a training-from-scratch to a fine-tuning paradigm. While in some applications the goal is to "nudge" the pre-trained distribution towards preferred outputs, in others it is to steer it towards a different distribution over the sample space. Two main paradigms have emerged to tackle this challenge: Reward Maximization (RM) and, more recently, Distribution Matching (DM). RM applies standard Reinforcement Learning (RL) techniques, such as Policy Gradients, to gradually increase the reward signal. DM prescribes to first make explicit the target distribution that the model is fine-tuned to approximate. Here we explore the theoretical connections between the two paradigms, and show that methods such as KL-control developed for RM can also be construed as belonging to DM. We further observe that while DM differs from RM, it can suffer from similar training difficulties, such as high gradient variance. We leverage connections between the two paradigms to import the concept of baseline into DM methods. We empirically validate the benefits of adding a baseline on an array of controllable language generation tasks such as constraining topic, sentiment, and gender distributions in texts sampled from a language model. We observe superior performance in terms of constraint satisfaction, stability and sample efficiency.

We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep generative models in drug design, the existing methods are mostly string-based or graph-based. They are limited by the lack of spatial information and thus unable to be applied to structure-based design tasks. Particularly, such models have no or little knowledge of how molecules interact with their target proteins exactly in 3D space. In this paper, we propose a 3D generative model that generates molecules given a designated 3D protein binding site. Specifically, given a binding site as the 3D context, our model estimates the probability density of atom's occurrences in 3D space -- positions that are more likely to have atoms will be assigned higher probability. To generate 3D molecules, we propose an auto-regressive sampling scheme -- atoms are sampled sequentially from the learned distribution until there is no room for new atoms. Combined with this sampling scheme, our model can generate valid and diverse molecules, which could be applicable to various structure-based molecular design tasks such as molecule sampling and linker design. Experimental results demonstrate that molecules sampled from our model exhibit high binding affinity to specific targets and good drug properties such as drug-likeness even if the model is not explicitly optimized for them.

Website Fingerprinting (WF) is a type of traffic analysis attack that enables a local passive eavesdropper to infer the victim's activity, even when the traffic is protected by a VPN or an anonymity system like Tor. Leveraging a deep-learning classifier, a WF attacker can gain over 98% accuracy on Tor traffic. In this paper, we explore a novel defense, Mockingbird, based on the idea of adversarial examples that have been shown to undermine machine-learning classifiers in other domains. Since the attacker gets to design and train his attack classifier based on the defense, we first demonstrate that at a straightforward technique for generating adversarial-example based traces fails to protect against an attacker using adversarial training for robust classification. We then propose Mockingbird, a technique for generating traces that resists adversarial training by moving randomly in the space of viable traces and not following more predictable gradients. The technique drops the accuracy of the state-of-the-art attack hardened with adversarial training from 98% to 42-58% while incurring only 58% bandwidth overhead. The attack accuracy is generally lower than state-of-the-art defenses, and much lower when considering Top-2 accuracy, while incurring lower bandwidth overheads.

In this paper, we introduce data multiplexing (DataMUX), a technique that enables deep neural networks to process multiple inputs simultaneously using a single compact representation. DataMUX demonstrates that neural networks are capable of generating accurate predictions over mixtures of inputs, resulting in increased throughput with minimal extra memory requirements. Our approach uses two key components -- 1) a multiplexing layer that performs a fixed linear transformation to each input before combining them to create a mixed representation of the same size as a single input, which is then processed by the base network, and 2) a demultiplexing layer that converts the base network's output back into independent representations before producing predictions for each input. We show the viability of DataMUX for different architectures (Transformers, and to a lesser extent MLPs and CNNs) across six different tasks spanning sentence classification, named entity recognition and image classification. For instance, DataMUX for Transformers can multiplex up to $20$x/$40$x inputs, achieving $11$x/$18$x increase in throughput with minimal absolute performance drops of $<2\%$ and $<4\%$ respectively on MNLI, a natural language inference task. We also provide a theoretical construction for multiplexing in self-attention networks and analyze the effect of various design elements in DataMUX.

Due to the intractability of characterizing everything that looks unlike the normal data, anomaly detection (AD) is traditionally treated as an unsupervised problem utilizing only normal samples. However, it has recently been found that unsupervised image AD can be drastically improved through the utilization of huge corpora of random images to represent anomalousness; a technique which is known as Outlier Exposure. In this paper we show that specialized AD learning methods seem unnecessary for state-of-the-art performance, and furthermore one can achieve strong performance with just a small collection of Outlier Exposure data, contradicting common assumptions in the field of AD. We find that standard classifiers and semi-supervised one-class methods trained to discern between normal samples and relatively few random natural images are able to outperform the current state of the art on an established AD benchmark with ImageNet. Further experiments reveal that even one well-chosen outlier sample is sufficient to achieve decent performance on this benchmark (79.3% AUC). We investigate this phenomenon and find that one-class methods are more robust to the choice of training outliers, indicating that there are scenarios where these are still more useful than standard classifiers. Additionally, we include experiments that delineate the scenarios where our results hold. Lastly, no training samples are necessary when one uses the representations learned by CLIP, a recent foundation model, which achieves state-of-the-art AD results on CIFAR-10 and ImageNet in a zero-shot setting.

We show that Contrastive Learning (CL) under a broad family of loss functions (including InfoNCE) has a unified formulation of coordinate-wise optimization on the network parameter $\boldsymbol{\theta}$ and pairwise importance $\alpha$, where the \emph{max player} $\boldsymbol{\theta}$ learns representation for contrastiveness, and the \emph{min player} $\alpha$ puts more weights on pairs of distinct samples that share similar representations. The resulting formulation, called $\alpha$-CL, unifies not only various existing contrastive losses, which differ by how sample-pair importance $\alpha$ is constructed, but also is able to extrapolate to give novel contrastive losses beyond popular ones, opening a new avenue of contrastive loss design. These novel losses yield comparable (or better) performance on CIFAR10, STL-10 and CIFAR-100 than classic InfoNCE. Furthermore, we also analyze the max player in detail: we prove that with fixed $\alpha$, max player is equivalent to Principal Component Analysis (PCA) for deep linear network, and almost all local minima are global and rank-1, recovering optimal PCA solutions. Finally, we extend our analysis on max player to 2-layer ReLU networks, showing that its fixed points can have higher ranks.

Domain-specific named entity recognition (NER) on Computer Science (CS) scholarly articles is an information extraction task that is arguably more challenging for the various annotation aims that can beset the task and has been less studied than NER in the general domain. Given that significant progress has been made on NER, we believe that scholarly domain-specific NER will receive increasing attention in the years to come. Currently, progress on CS NER -- the focus of this work -- is hampered in part by its recency and the lack of a standardized annotation aim for scientific entities/terms. This work proposes a standardized task by defining a set of seven contribution-centric scholarly entities for CS NER viz., research problem, solution, resource, language, tool, method, and dataset. Following which, its main contributions are: combines existing CS NER resources that maintain their annotation focus on the set or subset of contribution-centric scholarly entities we consider; further, noting the need for big data to train neural NER models, this work additionally supplies thousands of contribution-centric entity annotations from article titles and abstracts, thus releasing a cumulative large novel resource for CS NER; and, finally, trains a sequence labeling CS NER model inspired after state-of-the-art neural architectures from the general domain NER task. Throughout the work, several practical considerations are made which can be useful to information technology designers of the digital libraries.

The Adam optimization algorithm has proven remarkably effective for optimization problems across machine learning and even traditional tasks in geometry processing. At the same time, the development of equivariant methods, which preserve their output under the action of rotation or some other transformation, has proven to be important for geometry problems across these domains. In this work, we observe that Adam $-$ when treated as a function that maps initial conditions to optimized results $-$ is not rotation equivariant for vector-valued parameters due to per-coordinate moment updates. This leads to significant artifacts and biases in practice. We propose to resolve this deficiency with VectorAdam, a simple modification which makes Adam rotation-equivariant by accounting for the vector structure of optimization variables. We demonstrate this approach on problems in machine learning and traditional geometric optimization, showing that equivariant VectorAdam resolves the artifacts and biases of traditional Adam when applied to vector-valued data, with equivalent or even improved rates of convergence.

This work addresses a version of the two-armed Bernoulli bandit problem where the sum of the means of the arms is one (the symmetric two-armed Bernoulli bandit). In a regime where the gap between these means goes to zero and the number of prediction periods approaches infinity, we obtain the leading order terms of the minmax optimal regret and pseudoregret for this problem by associating each of them with a solution of a linear parabolic partial differential equation. Our results improve upon the previously known results; specifically, we explicitly compute these leading order terms in three different scaling regimes for the gap. Additionally, we obtain new non-asymptotic bounds for any given time horizon.

Associative memory plays an important role in human intelligence and its mechanisms have been linked to attention in machine learning. While the machine learning community's interest in associative memories has recently been rekindled, most work has focused on memory recall ($read$) over memory learning ($write$). In this paper, we present BayesPCN, a hierarchical associative memory capable of performing continual one-shot memory writes without meta-learning. Moreover, BayesPCN is able to gradually forget past observations ($forget$) to free its memory. Experiments show that BayesPCN can recall corrupted i.i.d. high-dimensional data observed hundreds to a thousand ``timesteps'' ago without a large drop in recall ability compared to the state-of-the-art offline-learned parametric memory models.

Modern power systems are experiencing the challenge of high uncertainty with the increasing penetration of renewable energy resources and the electrification of heating systems. In this paradigm shift, understanding electricity users' demand is of utmost value to retailers, aggregators, and policymakers. However, behind-the-meter (BTM) equipment and appliances at the household level are unknown to the other stakeholders mainly due to privacy concerns and tight regulations. In this paper, we seek to identify residential consumers based on their BTM equipment, mainly rooftop photovoltaic (PV) systems and electric heating, using imported/purchased energy data from utility meters. To solve this problem with an interpretable, fast, secure, and maintainable solution, we propose an integrated method called Interpretable Refined Motifs And binary Classification (IRMAC). The proposed method comprises a novel shape-based pattern extraction technique, called Refined Motif (RM) discovery, and a single-neuron classifier. The first part extracts a sub-pattern from the long time series considering the frequency of occurrences, average dissimilarity, and time dynamics while emphasising specific times with annotated distances. The second part identifies users' types with linear complexity while preserving the transparency of the algorithms. With the real data from Australia and Denmark, the proposed method is tested and verified in identifying PV owners and electrical heating system users.

Bisimulation metrics define a distance measure between states of a Markov decision process (MDP) based on a comparison of reward sequences. Due to this property they provide theoretical guarantees in value function approximation (VFA). In this work we first prove that bisimulation and $\pi$-bisimulation metrics can be defined via a more general class of Sinkhorn distances, which unifies various state similarity metrics used in recent work. Then we describe an approximate policy iteration (API) procedure that uses a bisimulation-based discretization of the state space for VFA and prove asymptotic performance bounds. Next, we bound the difference between $\pi$-bisimulation metrics in terms of the change in the policies themselves. Based on these results, we design an API($\alpha$) procedure that employs conservative policy updates and enjoys better performance bounds than the naive API approach. We discuss how such API procedures map onto practical actor-critic methods that use bisimulation metrics for state representation learning. Lastly, we validate our theoretical results and investigate their practical implications via a controlled empirical analysis based on an implementation of bisimulation-based API for finite MDPs.

There have been emerging a number of benchmarks and techniques for the detection of deepfakes. However, very few works study the detection of incrementally appearing deepfakes in the real-world scenarios. To simulate the wild scenes, this paper suggests a continual deepfake detection benchmark (CDDB) over a new collection of deepfakes from both known and unknown generative models. The suggested CDDB designs multiple evaluations on the detection over easy, hard, and long sequence of deepfake tasks, with a set of appropriate measures. In addition, we exploit multiple approaches to adapt multiclass incremental learning methods, commonly used in the continual visual recognition, to the continual deepfake detection problem. We evaluate existing methods, including their adapted ones, on the proposed CDDB. Within the proposed benchmark, we explore some commonly known essentials of standard continual learning. Our study provides new insights on these essentials in the context of continual deepfake detection. The suggested CDDB is clearly more challenging than the existing benchmarks, which thus offers a suitable evaluation avenue to the future research. Both data and code are available at https://github.com/Coral79/CDDB.

Being able to reliably assess not only the \emph{accuracy} but also the \emph{uncertainty} of models' predictions is an important endeavour in modern machine learning. Even if the model generating the data and labels is known, computing the intrinsic uncertainty after learning the model from a limited number of samples amounts to sampling the corresponding posterior probability measure. Such sampling is computationally challenging in high-dimensional problems and theoretical results on heuristic uncertainty estimators in high-dimensions are thus scarce. In this manuscript, we characterise uncertainty for learning from limited number of samples of high-dimensional Gaussian input data and labels generated by the probit model. In this setting, the Bayesian uncertainty (i.e. the posterior marginals) can be asymptotically obtained by the approximate message passing algorithm, bypassing the canonical but costly Monte Carlo sampling of the posterior. We then provide a closed-form formula for the joint statistics between the logistic classifier, the uncertainty of the statistically optimal Bayesian classifier and the ground-truth probit uncertainty. The formula allows us to investigate calibration of the logistic classifier learning from limited amount of samples. We discuss how over-confidence can be mitigated by appropriately regularising.  ( 2 min )

Variational Autoencoders (VAEs) have recently been highly successful at imputing and acquiring heterogeneous missing data. However, within this specific application domain, existing VAE methods are restricted by using only one layer of latent variables and strictly Gaussian posterior approximations. To address these limitations, we present HH-VAEM, a Hierarchical VAE model for mixed-type incomplete data that uses Hamiltonian Monte Carlo with automatic hyper-parameter tuning for improved approximate inference. Our experiments show that HH-VAEM outperforms existing baselines in the tasks of missing data imputation and supervised learning with missing features. Finally, we also present a sampling-based approach for efficiently computing the information gain when missing features are to be acquired with HH-VAEM. Our experiments show that this sampling-based approach is superior to alternatives based on Gaussian approximations.  ( 2 min )

Prior to deep learning the semantic parsing community has been interested in understanding and modeling the range of possible word alignments between natural language sentences and their corresponding meaning representations. Sequence-to-sequence models changed the research landscape suggesting that we no longer need to worry about alignments since they can be learned automatically by means of an attention mechanism. More recently, researchers have started to question such premise. In this work we investigate whether seq2seq models can handle both simple and complex alignments. To answer this question we augment the popular Geo semantic parsing dataset with alignment annotations and create Geo-Aligned. We then study the performance of standard seq2seq models on the examples that can be aligned monotonically versus examples that require more complex alignments. Our empirical study shows that performance is significantly better over monotonic alignments.  ( 2 min )

The optimality and sensitivity of the empirical risk minimization problem with relative entropy regularization (ERM-RER) are investigated for the case in which the reference is a sigma-finite measure instead of a probability measure. This generalization allows for a larger degree of flexibility in the incorporation of prior knowledge over the set of models. In this setting, the interplay of the regularization parameter, the reference measure, the risk function, and the empirical risk induced by the solution of the ERM-RER problem is characterized. This characterization yields necessary and sufficient conditions for the existence of a regularization parameter that achieves an arbitrarily small empirical risk with arbitrarily high probability. The sensitivity of the expected empirical risk to deviations from the solution of the ERM-RER problem is studied. The sensitivity is then used to provide upper and lower bounds on the expected empirical risk. Moreover, it is shown that the expectation of the sensitivity is upper bounded, up to a constant factor, by the square root of the lautum information between the models and the datasets.  ( 2 min )

Vision-Transformers are widely used in various vision tasks. Meanwhile, there is another line of works starting with the MLP-mixer trying to achieve similar performance using mlp-based architectures. Interestingly, until now those mlp-based architectures have not been adapted for NLP tasks. Additionally, until now, mlp-based architectures have failed to achieve state-of-the-art performance in vision tasks. In this paper, we analyze the expressive power of mlp-based architectures in modeling dependencies between multiple different inputs simultaneously, and show an exponential gap between the attention and the mlp-based mechanisms. Our results suggest a theoretical explanation for the mlp inability to compete with attention-based mechanisms in NLP problems, they also suggest that the performance gap in vision tasks may be due to the mlp relative weakness in modeling dependencies between multiple different locations, and that combining smart input permutations with mlp architectures may not be enough to close the performance gap alone.  ( 2 min )

Studies have shown evolution strategies (ES) to be a promising approach for reinforcement learning (RL) with deep neural networks. However, the issue of high sample complexity persists in applications of ES to deep RL over long horizons. This paper is the first to address the shortcoming of today's methods via a novel neuroevolutionary multitasking (NuEMT) algorithm, designed to transfer information from a set of auxiliary tasks (of short episode length) to the target (full length) RL task at hand. The auxiliary tasks, extracted from the target, allow an agent to update and quickly evaluate policies on shorter time horizons. The evolved skills are then transferred to guide the longer and harder task towards an optimal policy. We demonstrate that the NuEMT algorithm achieves data-efficient evolutionary RL, reducing expensive agent-environment interaction data requirements. Our key algorithmic contribution in this setting is to introduce, for the first time, a multitask skills transfer mechanism based on the statistical importance sampling technique. In addition, an adaptive resource allocation strategy is utilized to assign computational resources to auxiliary tasks based on their gleaned usefulness. Experiments on a range of continuous control tasks from the OpenAI Gym confirm that our proposed algorithm is efficient compared to recent ES baselines.

Signal-background classification is a central problem in High-Energy Physics (HEP), that plays a major role for the discovery of new fundamental particles. A recent method -- the Parametric Neural Network (pNN) -- leverages multiple signal mass hypotheses as an additional input feature to effectively replace a whole set of individual classifiers, each providing (in principle) the best response for the corresponding mass hypothesis. In this work we aim at deepening the understanding of pNNs in light of real-world usage. We discovered several peculiarities of parametric networks, providing intuition, metrics, and guidelines to them. We further propose an alternative parametrization scheme, resulting in a new parametrized neural network architecture: the AffinePNN; along with many other generally applicable improvements, like the balanced training procedure. Finally, we extensively and empirically evaluate our models on the HEPMASS dataset, along its imbalanced version (called HEPMASS-IMB) we provide here for the first time, to further validate our approach. Provided results are in terms of the impact of the proposed design decisions, classification performance, and interpolation capability, as well.

Predicting and anticipating future outcomes or reasoning about missing information in a sequence are critical skills for agents to be able to make intelligent decisions. This requires strong, temporally coherent generative capabilities. Diffusion models have shown remarkable success in several generative tasks, but have not been extensively explored in the video domain. We present Random-Mask Video Diffusion (RaMViD), which extends image diffusion models to videos using 3D convolutions, and introduces a new conditioning technique during training. By varying the mask we condition on, the model is able to perform video prediction, infilling, and upsampling. Due to our simple conditioning scheme, we can utilize the same architecture as used for unconditional training, which allows us to train the model in a conditional and unconditional fashion at the same time. We evaluate RaMViD on two benchmark datasets for video prediction, on which we achieve state-of-the-art results, and one for video generation. High-resolution videos are provided at https://sites.google.com/view/video-diffusion-prediction.  ( 2 min )

Automatic speech quality assessment is essential for audio researchers, developers, speech and language pathologists, and system quality engineers. The current state-of-the-art systems are based on framewise speech features (hand-engineered or learnable) combined with time dependency modeling. This paper proposes an efficient system with results comparable to the best performing model in the ConferencingSpeech 2022 challenge. Our proposed system is characterized by a smaller number of parameters (40-60x), fewer FLOPS (100x), lower memory consumption (10-15x), and lower latency (30x). Speech quality practitioners can therefore iterate much faster, deploy the system on resource-limited hardware, and, overall, the proposed system contributes to sustainable machine learning. The paper also concludes that framewise embeddings outperform utterance-level embeddings and that multi-task training with acoustic conditions modeling does not degrade speech quality prediction while providing better interpretation.  ( 2 min )

Consider the problem of simultaneous estimation and support recovery of the coefficient vector in a linear data model with additive Gaussian noise. We study the problem of estimating the model coefficients based on a recently proposed non-convex regularizer, namely the stochastic gates (STG) [Yamada et al. 2020]. We suggest a new projection-based algorithm for solving the STG regularized minimization problem, and prove convergence and support recovery guarantees of the STG-estimator for a range of random and non-random design matrix setups. Our new algorithm has been shown to outperform the existing STG algorithm and other classical estimators for support recovery in various real and synthetic data analyses.

Online continual learning (OCL) aims to train neural networks incrementally from a non-stationary data stream with a single pass through data. Rehearsal-based methods attempt to approximate the observed input distributions over time with a small memory and revisit them later to avoid forgetting. Despite its strong empirical performance, rehearsal methods still suffer from a poor approximation of the loss landscape of past data with memory samples. This paper revisits the rehearsal dynamics in online settings. We provide theoretical insights on the inherent memory overfitting risk from the viewpoint of biased and dynamic empirical risk minimization, and examine the merits and limits of repeated rehearsal. Inspired by our analysis, a simple and intuitive baseline, Repeated Augmented Rehearsal (RAR), is designed to address the underfitting-overfitting dilemma of online rehearsal. Surprisingly, across four rather different OCL benchmarks, this simple baseline outperforms vanilla rehearsal by 9%-17% and also significantly improves state-of-the-art rehearsal-based methods MIR, ASER, and SCR. We also demonstrate that RAR successfully achieves an accurate approximation of the loss landscape of past data and high-loss ridge aversion in its learning trajectory. Extensive ablation studies are conducted to study the interplay between repeated and augmented rehearsal and reinforcement learning (RL) is applied to dynamically adjust the hyperparameters of RAR to balance the stability-plasticity trade-off online. Code is available at https://github.com/YaqianZhang/RepeatedAugmentedRehearsal

The Expectation--Maximization (EM) algorithm is a simple meta-algorithm that has been used for many years as a methodology for statistical inference when there are missing measurements in the observed data or when the data is composed of observables and unobservables. Its general properties are well studied, and also, there are countless ways to apply it to individual problems. In this paper, we introduce the $em$ algorithm, an information geometric formulation of the EM algorithm, and its extensions and applications to various problems. Specifically, we will see that it is possible to formulate an outlier-robust inference algorithm, an algorithm for calculating channel capacity, parameter estimation methods on probability simplex, particular multivariate analysis methods such as principal component analysis in a space of probability models and modal regression, matrix factorization, and learning generative models, which have recently attracted attention in deep learning, from the geometric perspective.

Electrical faults may trigger blackouts or wildfires without timely monitoring and control strategy. Traditional solutions for locating faults in distribution systems are not real-time when network observability is low, while novel black-box machine learning methods are vulnerable to stochastic environments. We propose a novel Physics-Preserved Graph Network (PPGN) architecture to accurately locate faults at the node level with limited observability and labeled training data. PPGN has a unique two-stage graph neural network architecture. The first stage learns the graph embedding to represent the entire network using a few measured nodes. The second stage finds relations between the labeled and unlabeled data samples to further improve the location accuracy. We explain the benefits of the two-stage graph configuration through a random walk equivalence. We numerically validate the proposed method in the IEEE 123-node and 37-node test feeders, demonstrating the superior performance over three baseline classifiers when labeled training data is limited, and loads and topology are allowed to vary.

Cancer subtyping is crucial for understanding the nature of tumors and providing suitable therapy. However, existing labelling methods are medically controversial, and have driven the process of subtyping away from teaching signals. Moreover, cancer genetic expression profiles are high-dimensional, scarce, and have complicated dependence, thereby posing a serious challenge to existing subtyping models for outputting sensible clustering. In this study, we propose a novel clustering method for exploiting genetic expression profiles and distinguishing subtypes in an unsupervised manner. The proposed method adaptively learns categorical correspondence from latent representations of expression profiles to the subtypes output by the model. By maximizing the problem -- agnostic mutual information between input expression profiles and output subtypes, our method can automatically decide a suitable number of subtypes. Through experiments, we demonstrate that our proposed method can refine existing controversial labels, and, by further medical analysis, this refinement is proven to have a high correlation with cancer survival rates.

We consider the revenue maximization problem for an online retailer who plans to display in order a set of products differing in their prices and qualities. Consumers have attention spans, i.e., the maximum number of products they are willing to view, and inspect the products sequentially before purchasing a product or leaving the platform empty-handed when the attention span gets exhausted. Our framework extends the well-known cascade model in two directions: the consumers have random attention spans instead of fixed ones, and the firm maximizes revenues instead of clicking probabilities. We show a nested structure of the optimal product ranking as a function of the attention span when the attention span is fixed. \sg{Using this fact, we develop an approximation algorithm when only the distribution of the attention spans is given. Under mild conditions, it achieves $1/e$ of the revenue of the clairvoyant case when the realized attention span is known. We also show that no algorithms can achieve more than 0.5 of the revenue of the same benchmark. The model and the algorithm can be generalized to the ranking problem when consumers make multiple purchases.} When the conditional purchase probabilities are not known and may depend on consumer and product features, we devise an online learning algorithm that achieves $\tilde{\mathcal{O}}(\sqrt{T})$ regret relative to the approximation algorithm, despite the censoring of information: the attention span of a customer who purchases an item is not observable. Numerical experiments demonstrate the outstanding performance of the approximation and online learning algorithms.

A vast literature shows that the learning-based visual perception model is sensitive to adversarial noises, but few works consider the robustness of robotic perception models under widely-existing camera motion perturbations. To this end, we study the robustness of the visual perception model under camera motion perturbations to investigate the influence of camera motion on robotic perception. Specifically, we propose a motion smoothing technique for arbitrary image classification models, whose robustness under camera motion perturbations could be certified. The proposed robustness certification framework based on camera motion smoothing provides tight and scalable robustness guarantees for visual perception modules so that they are applicable to wide robotic applications. As far as we are aware, this is the first work to provide robustness certification for the deep perception module against camera motions, which improves the trustworthiness of robotic perception. A realistic indoor robotic dataset with a dense point cloud map for the entire room, MetaRoom, is introduced for the challenging certifiable robust perception task. We conduct extensive experiments to validate the certification approach via motion smoothing against camera motion perturbations. Our framework guarantees the certified accuracy of 81.7% against camera translation perturbation along depth direction within -0.1m ~ 0.1m. We also validate the effectiveness of our method on the real-world robot by conducting hardware experiments on the robotic arm with an eye-in-hand camera. The code is available at https://github.com/HanjiangHu/camera-motion-smoothing.

Why do brains have inhibitory connections? Why do deep networks have negative weights? There are many function-specific explanations for the necessity of inhibitory connections, including to balance excitatory connections, memorize, decide, and avoid seizures. We propose an answer from the perspective of representation capacity. We believe representing functions is the primary role of both (i) the brain in natural intelligence, and (ii) deep networks in artificial intelligence. Our answer to why there are inhibitory/negative weights is: to learn more functions. We prove that, in the absence of negative weights, neural networks are not universal approximators. While this may be an intuitive result, to the best of our knowledge, there is no formal theory, in either machine learning or neuroscience, that demonstrates why negative weights are crucial in the context of representation capacity. Further, we provide insights on the geometric properties of the representation space that non-negative deep networks cannot represent. We expect these insights will yield a deeper understanding of more sophisticated inductive priors imposed on the distribution of weights that lead to more efficient biological and machine learning.

Predicting fund performance is beneficial to both investors and fund managers, and yet is a challenging task. In this paper, we have tested whether deep learning models can predict fund performance more accurately than traditional statistical techniques. Fund performance is typically evaluated by the Sharpe ratio, which represents the risk-adjusted performance to ensure meaningful comparability across funds. We calculated the annualised Sharpe ratios based on the monthly returns time series data for more than 600 open-end mutual funds investing in listed large-cap equities in the United States. We find that long short-term memory (LSTM) and gated recurrent units (GRUs) deep learning methods, both trained with modern Bayesian optimization, provide higher accuracy in forecasting funds' Sharpe ratios than traditional statistical ones. An ensemble method, which combines forecasts from LSTM and GRUs, achieves the best performance of all models. There is evidence to say that deep learning and ensembling offer promising solutions in addressing the challenge of fund performance forecasting.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. (2021). We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10 and CIFAR-100. Additionally, we investigate intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Learning effective joint embedding for cross-modal data has always been a focus in the field of multimodal machine learning. We argue that during multimodal fusion, the generated multimodal embedding may be redundant, and the discriminative unimodal information may be ignored, which often interferes with accurate prediction and leads to a higher risk of overfitting. Moreover, unimodal representations also contain noisy information that negatively influences the learning of cross-modal dynamics. To this end, we introduce the multimodal information bottleneck (MIB), aiming to learn a powerful and sufficient multimodal representation that is free of redundancy and to filter out noisy information in unimodal representations. Specifically, inheriting from the general information bottleneck (IB), MIB aims to learn the minimal sufficient representation for a given task by maximizing the mutual information between the representation and the target and simultaneously constraining the mutual information between the representation and the input data. Different from general IB, our MIB regularizes both the multimodal and unimodal representations, which is a comprehensive and flexible framework that is compatible with any fusion methods. We develop three MIB variants, namely, early-fusion MIB, late-fusion MIB, and complete MIB, to focus on different perspectives of information constraints. Experimental results suggest that the proposed method reaches state-of-the-art performance on the tasks of multimodal sentiment analysis and multimodal emotion recognition across three widely used datasets. The codes are available at \url{https://github.com/TmacMai/Multimodal-Information-Bottleneck}.

Arbitrary conditioning is an important problem in unsupervised learning, where we seek to model the conditional densities $p(\mathbf{x}_u \mid \mathbf{x}_o)$ that underly some data, for all possible non-intersecting subsets $o, u \subset \{1, \dots , d\}$. However, the vast majority of density estimation only focuses on modeling the joint distribution $p(\mathbf{x})$, in which important conditional dependencies between features are opaque. We propose a simple and general framework, coined Posterior Matching, that enables Variational Autoencoders (VAEs) to perform arbitrary conditioning, without modification to the VAE itself. Posterior Matching applies to the numerous existing VAE-based approaches to joint density estimation, thereby circumventing the specialized models required by previous approaches to arbitrary conditioning. We find that Posterior Matching is comparable or superior to current state-of-the-art methods for a variety of tasks with an assortment of VAEs (e.g.~discrete, hierarchical, VaDE).

Semi-supervised learning (SSL) is the branch of machine learning that aims to improve learning performance by leveraging unlabeled data when labels are insufficient. Recently, SSL with deep models has proven to be successful on standard benchmark tasks. However, they are still vulnerable to various robustness threats in real-world applications as these benchmarks provide perfect unlabeled data, while in realistic scenarios, unlabeled data could be corrupted. Many researchers have pointed out that after exploiting corrupted unlabeled data, SSL suffers severe performance degradation problems. Thus, there is an urgent need to develop SSL algorithms that could work robustly with corrupted unlabeled data. To fully understand robust SSL, we conduct a survey study. We first clarify a formal definition of robust SSL from the perspective of machine learning. Then, we classify the robustness threats into three categories: i) distribution corruption, i.e., unlabeled data distribution is mismatched with labeled data; ii) feature corruption, i.e., the features of unlabeled examples are adversarially attacked; and iii) label corruption, i.e., the label distribution of unlabeled data is imbalanced. Under this unified taxonomy, we provide a thorough review and discussion of recent works that focus on these issues. Finally, we propose possible promising directions within robust SSL to provide insights for future research.

Recent advances in deep learning optimization showed that, with some a-posteriori information on fully-trained models, it is possible to match the same performance by simply training a subset of their parameters. Such a discovery has a broad impact from theory to applications, driving the research towards methods to identify the minimum subset of parameters to train without look-ahead information exploitation. However, the methods proposed do not match the state-of-the-art performance, and rely on unstructured sparsely connected models. In this work we shift our focus from the single parameters to the behavior of the whole neuron, exploiting the concept of neuronal equilibrium (NEq). When a neuron is in a configuration at equilibrium (meaning that it has learned a specific input-output relationship), we can halt its update; on the contrary, when a neuron is at non-equilibrium, we let its state evolve towards an equilibrium state, updating its parameters. The proposed approach has been tested on different state-of-the-art learning strategies and tasks, validating NEq and observing that the neuronal equilibrium depends on the specific learning setup.

Pruning techniques have been successfully used in neural networks to trade accuracy for sparsity. However, the impact of network pruning is not uniform: prior work has shown that the recall for underrepresented classes in a dataset may be more negatively affected. In this work, we study such relative distortions in recall by hypothesizing an intensification effect that is inherent to the model. Namely, that pruning makes recall relatively worse for a class with recall below accuracy and, conversely, that it makes recall relatively better for a class with recall above accuracy. In addition, we propose a new pruning algorithm aimed at attenuating such effect. Through statistical analysis, we have observed that intensification is less severe with our algorithm but nevertheless more pronounced with relatively more difficult tasks, less complex models, and higher pruning ratios. More surprisingly, we conversely observe a de-intensification effect with lower pruning ratios, which indicates that moderate pruning may have a corrective effect to such distortions.

We introduce a method to successively locate equilibria (steady states) of dynamical systems on Riemannian manifolds. The manifolds need not be characterized by an a priori known atlas or by the zeros of a smooth map. Instead, they can be defined by point-clouds and sampled as needed through an iterative process. If the manifold is an Euclidean space, our method follows isoclines, curves along which the direction of the vector field $X$ is constant. For a generic vector field $X$, isoclines are smooth curves and every equilibrium lies on isoclines. We generalize the definition of isoclines to Riemannian manifolds through the use of parallel transport: generalized isoclines are curves along which the directions of $X$ are parallel transports of each other. As in the Euclidean case, generalized isoclines of generic vector fields $X$ are smooth curves that connect equilibria of $X$. Our algorithm can be regarded as an extension of the method of Newton trajectories to the manifold setting when the manifold is unknown. This work is motivated by computational statistical mechanics, specifically high dimensional (stochastic) differential equations that model the dynamics of molecular systems. Often, these dynamics concentrate near low-dimensional manifolds and have transitions (saddle points with a single unstable direction) between metastable equilibria. We employ iteratively sampled data and isoclines to locate these saddle points. Coupling a black-box sampling scheme (e.g., Markov chain Monte Carlo) with manifold learning techniques (diffusion maps in the case presented here), we show that our method reliably locates equilibria of $X$.

We explore the connection between outlier-robust high-dimensional statistics and non-convex optimization in the presence of sparsity constraints, with a focus on the fundamental tasks of robust sparse mean estimation and robust sparse PCA. We develop novel and simple optimization formulations for these problems such that any approximate stationary point of the associated optimization problem yields a near-optimal solution for the underlying robust estimation task. As a corollary, we obtain that any first-order method that efficiently converges to stationarity yields an efficient algorithm for these tasks. The obtained algorithms are simple, practical, and succeed under broader distributional assumptions compared to prior work.

This paper focuses on stochastic saddle point problems with decision-dependent distributions. These are problems whose objective is the expected value of a stochastic payoff function and whose data distribution drifts in response to decision variables--a phenomenon represented by a distributional map. A common approach to accommodating distributional shift is to retrain optimal decisions once a new distribution is revealed, or repeated retraining. We introduce the notion of equilibrium points, which are the fixed points of this repeated retraining procedure, and provide sufficient conditions for their existence and uniqueness. To find equilibrium points, we develop deterministic and stochastic primal-dual algorithms and demonstrate their convergence with constant step-size in the former and polynomial decay step-size schedule in the latter. By modeling errors emerging from a stochastic gradient estimator as sub-Weibull random variables, we provide error bounds in expectation and in high probability that hold for each iteration. Without additional knowledge of the distributional map, computing saddle points is intractable. Thus we propose a condition on the distributional map--which we call opposing mixture dominance--that ensures that the objective is strongly-convex-strongly-concave. Finally, we demonstrate that derivative-free algorithms with a single function evaluation are capable of approximating saddle points

This paper aims to interpret the mechanism of feedforward ReLU networks by exploring their solutions for piecewise linear functions, through the deduction from basic rules. The constructed solution should be universal enough to explain some network architectures of engineering; in order for that, several ways are provided to enhance the solution universality. Some of the consequences of our theories include: Under affine-geometry background, the solutions of both three-layer networks and deep-layer networks are given, particularly for those architectures applied in practice, such as multilayer feedforward neural networks and decoders; We give clear and intuitive interpretations of each component of network architectures; The parameter-sharing mechanism for multi-outputs is investigated; We provide an explanation of overparameterization solutions in terms of affine transforms; Under our framework, an advantage of deep layers compared to shallower ones is natural to be obtained. Some intermediate results are the basic knowledge for the modeling or understanding of neural networks, such as the classification of data embedded in a higher-dimensional space, the generalization of affine transforms, the probabilistic model of matrix ranks, and the concept of distinguishable data sets.

Our world is ambiguous and this is reflected in the data we use to train our algorithms. This is particularly true when we try to model natural processes where collected data is affected by noisy measurements and differences in measurement techniques. Sometimes, the process itself is ambiguous, such as in the case of RNA folding, where the same nucleotide sequence can fold into different structures. This suggests that a predictive model should have similar probabilistic characteristics to match the data it models. Therefore, we propose a hierarchical latent distribution to enhance one of the most successful deep learning models, the Transformer, to accommodate ambiguities and data distributions. We show the benefits of our approach (1) on a synthetic task that captures the ability to learn a hidden data distribution, (2) with state-of-the-art results in RNA folding that reveal advantages on highly ambiguous data, and (3) demonstrating its generative capabilities on property-based molecule design by implicitly learning the underlying distributions and outperforming existing work.

This paper proposes a distributed weighted regularized least squares algorithm (DWRLS) based on spherical radial basis functions and spherical quadrature rules to tackle spherical data that are stored across numerous local servers and cannot be shared with each other. Via developing a novel integral operator approach, we succeed in deriving optimal approximation rates for DWRLS and theoretically demonstrate that DWRLS performs similarly as running a weighted regularized least squares algorithm with the whole data on a large enough machine. This interesting finding implies that distributed learning is capable of sufficiently exploiting potential values of distributively stored spherical data, even though every local server cannot access all the data.

In this work, we investigate the unexplored intersection of domain generalization (DG) and data-free learning. In particular, we address the question: How can knowledge contained in models trained on different source domains be merged into a single model that generalizes well to unseen target domains, in the absence of source and target domain data? Machine learning models that can cope with domain shift are essential for real-world scenarios with often changing data distributions. Prior DG methods typically rely on using source domain data, making them unsuitable for private decentralized data. We define the novel problem of Data-Free Domain Generalization (DFDG), a practical setting where models trained on the source domains separately are available instead of the original datasets, and investigate how to effectively solve the domain generalization problem in that case. We propose DEKAN, an approach that extracts and fuses domain-specific knowledge from the available teacher models into a student model robust to domain shift. Our empirical evaluation demonstrates the effectiveness of our method which achieves first state-of-the-art results in DFDG by significantly outperforming data-free knowledge distillation and ensemble baselines.

Matrix multiplication is a fundamental operation in machine learning and is commonly distributed into multiple parallel tasks for large datasets. Stragglers and other failures can severely impact the overall completion time. Recent works in coded computing provide a novel strategy to mitigate stragglers with coded tasks, with an objective of minimizing the number of tasks needed to recover the overall result, known as the recovery threshold. However, we demonstrate that this combinatorial definition does not directly optimize the probability of failure. In this paper, we introduce a novel analytical metric, which focuses on the most likely event and measures the optimality of a coding scheme by its probability of decoding. Our general framework encompasses many other computational schemes and metrics as a special case. Far from being a purely theoretical construction, these definitions lead us to a practical construction of random codes for matrix multiplication, i.e., locally random alloy codes, which are optimal with respect to the measures. We present experimental results on Amazon EC2 which empirically demonstrate the improvement in terms of running time and numerical stability relative to well-established benchmarks.

Hebbian plasticity in winner-take-all (WTA) networks is highly attractive for neuromorphic on-chip learning, owing to its efficient, local, unsupervised, and on-line nature. Moreover, its biological plausibility may help overcome important limitations of artificial algorithms, such as their susceptibility to adversarial attacks, and their high demands for training-example quantity and repetition. However, Hebbian WTA learning has found little use in machine learning (ML), likely because it has been missing an optimization theory compatible with deep learning (DL). Here we show rigorously that WTA networks constructed by standard DL elements, combined with a Hebbian-like plasticity that we derive, maintain a Bayesian generative model of the data. Importantly, without any supervision, our algorithm, SoftHebb, minimizes cross-entropy, i.e. a common loss function in supervised DL. We show this theoretically and in practice. The key is a "soft" WTA where there is no absolute "hard" winner neuron. Strikingly, in shallow-network comparisons with backpropagation (BP), SoftHebb shows advantages beyond its Hebbian efficiency. Namely, it converges in fewer iterations, and is significantly more robust to noise and adversarial attacks. Notably, attacks that maximally confuse SoftHebb are also confusing to the human eye, potentially linking human perceptual robustness, with Hebbian WTA circuits of cortex. Finally, SoftHebb can generate synthetic objects as interpolations of real object classes. All in all, Hebbian efficiency, theoretical underpinning, cross-entropy-minimization, and surprising empirical advantages, suggest that SoftHebb may inspire highly neuromorphic and radically different, but practical and advantageous learning algorithms and hardware accelerators.

Federated learning is a promising machine learning technique that enables multiple clients to collaboratively build a model without revealing the raw data to each other. Among various types of federated learning methods, horizontal federated learning (HFL) is the best-studied category and handles homogeneous feature spaces. However, in the case of heterogeneous feature spaces, HFL uses only common features and leaves client-specific features unutilized. In this paper, we propose a HFL method using neural networks named continual horizontal federated learning (CHFL), a continual learning approach to improve the performance of HFL by taking advantage of unique features of each client. CHFL splits the network into two columns corresponding to common features and unique features, respectively. It jointly trains the first column by using common features through vanilla HFL and locally trains the second column by using unique features and leveraging the knowledge of the first one via lateral connections without interfering with the federated training of it. We conduct experiments on various real world datasets and show that CHFL greatly outperforms vanilla HFL that only uses common features and local learning that uses all features that each client has.

Given a natural language instruction, and an input and an output scene, our goal is to train a neuro-symbolic model which can output a manipulation program that can be executed by the robot on the input scene resulting in the desired output scene. Prior approaches for this task possess one of the following limitations: (i) rely on hand-coded symbols for concepts limiting generalization beyond those seen during training [1] (ii) infer action sequences from instructions but require dense sub-goal supervision [2] or (iii) lack semantics required for deeper object-centric reasoning inherent in interpreting complex instructions [3]. In contrast, our approach is neuro-symbolic and can handle linguistic as well as perceptual variations, is end-to-end differentiable requiring no intermediate supervision, and makes use of symbolic reasoning constructs which operate on a latent neural object-centric representation, allowing for deeper reasoning over the input scene. Central to our approach is a modular structure, consisting of a hierarchical instruction parser, and a manipulation module to learn disentangled action representations, both trained via RL. Our experiments on a simulated environment with a 7-DOF manipulator, consisting of instructions with varying number of steps, as well as scenes with different number of objects, and objects with unseen attribute combinations, demonstrate that our model is robust to such variations, and significantly outperforms existing baselines, particularly in generalization settings.  ( 2 min )

In this article, we aim to provide a literature review of different formulations and approaches to continual reinforcement learning (RL), also known as lifelong or non-stationary RL. We begin by discussing our perspective on why RL is a natural fit for studying continual learning. We then provide a taxonomy of different continual RL formulations by mathematically characterizing two key properties of non-stationarity, namely, the scope and driver non-stationarity. This offers a unified view of various formulations. Next, we review and present a taxonomy of continual RL approaches. We go on to discuss evaluation of continual RL agents, providing an overview of benchmarks used in the literature and important metrics for understanding agent performance. Finally, we highlight open problems and challenges in bridging the gap between the current state of continual RL and findings in neuroscience. While still in its early days, the study of continual RL has the promise to develop better incremental reinforcement learners that can function in increasingly realistic applications where non-stationarity plays a vital role. These include applications such as those in the fields of healthcare, education, logistics, and robotics.

Nonlinear principal component analysis (NLPCA) via autoencoders has attracted attention in the dynamical systems community due to its larger compression rate when compared to linear principal component analysis (PCA). These model reduction methods experience an increase in the dimensionality of the latent space when applied to datasets that exhibit invariant samples due to the presence of symmetries. In this study, we introduce a novel machine learning embedding for autoencoders, which uses Siamese networks and spatial transformer networks to account for discrete and continuous symmetries, respectively. The Siamese branches autonomously find a fundamental domain to which all samples are transformed, without introducing human bias. The spatial transformer network discovers the optimal slicing template for continuous translations so that invariant samples are aligned in the homogeneous direction. Thus, the proposed symmetry-aware autoencoder is invariant to predetermined input transformations. This embedding can be employed with both linear and nonlinear reduction methods, which we term symmetry-aware PCA (s-PCA) and symmetry-aware NLPCA (s-NLPCA). We apply the proposed framework to the Kolmogorov flow to showcase the capabilities for a system exhibiting both a continuous symmetry as well as discrete symmetries.

Data loss in Structural Health Monitoring (SHM) networks has recently become one of the main challenges for engineers. Therefore, a data recovery method for SHM, generally an expensive procedure, is essential. Lately, some techniques offered to recover this valuable raw data using Neural Network (NN) algorithms. Among them, the convolutional neural network (CNN) based on convolution, a mathematical operation, can be applied to non-image datasets such as signals to extract important features without human supervision. However, the effect of different parameters has not been studied and optimized for SHM applications. Therefore, this paper aims to propose different architectures and investigate the effects of different hyperparameters for one of the newest proposed methods, which is based on a CNN algorithm for the Alamosa Canyon Bridge as a real structure. For this purpose, three different CNN models were considered to predict one and two malfunctioned sensors by finding the correlation between other sensors, respectively. Then the CNN algorithm was trained by experimental data, and the results showed that the method had a reliable performance in predicting Alamosa Canyon Bridge's missed data. The accuracy of the model was increased by adding a convolutional layer. Also, a standard neural network with two hidden layers was trained with the same inputs and outputs of the CNN models. Based on the results, the CNN model had higher accuracy, lower computational cost, and was faster than the standard neural network.

Pain monitoring is essential to the quality of care for patients undergoing a medical procedure with sedation. An automated mechanism for detecting pain could improve sedation dose titration. Previous studies on facial pain detection have shown the viability of computer vision methods in detecting pain in unoccluded faces. However, the faces of patients undergoing procedures are often partially occluded by medical devices and face masks. A previous preliminary study on pain detection on artificially occluded faces has shown a feasible approach to detect pain from a narrow band around the eyes. This study has collected video data from masked faces of 14 patients undergoing procedures in an interventional radiology department and has trained a deep learning model using this dataset. The model was able to detect expressions of pain accurately and, after causal temporal smoothing, achieved an average precision (AP) of 0.72 and an area under the receiver operating characteristic curve (AUC) of 0.82. These results outperform baseline models and show viability of computer vision approaches for pain detection of masked faces during procedural sedation. Cross-dataset performance is also examined when a model is trained on a publicly available dataset and tested on the sedation videos. The ways in which pain expressions differ in the two datasets are qualitatively examined.  ( 2 min )

Learning low-dimensional representations of single-cell transcriptomics has become instrumental to its downstream analysis. The state of the art is currently represented by neural network models such as Variational Autoencoders (VAEs) which use a variational approximation of the likelihood for inference. We here present the Deep Generative Decoder (DGD), a simple generative model that computes model parameters and representations directly via maximum a posteriori (MAP) estimation. The DGD handles complex parametrized latent distributions naturally unlike VAEs which typically use overly simple fixed Gaussian distributions. We first show its general functionality and superiority in data generation on a commonly used benchmark set, Fashion-MNIST. Secondly, we apply the model to a single-cell dataset from peripheral blood mononuclear cells. Here the DGD learns low-dimensional, meaningful and well-structured latent representations with sub-clustering beyond the provided labels. The advantages of this approach are its simplicity and its capability to provide representations of much smaller dimensionality than a comparable VAE.

We investigate the spectral properties of linear-width feed-forward neural networks, where the sample size is asymptotically proportional to network width. Empirically, we show that the weight spectra in this high dimensional regime are invariant when trained by gradient descent for small constant learning rates and the changes in both operator and Frobenius norm are $\Theta(1)$ in the limit. This implies the bulk spectra for both the conjugate and neural tangent kernels are also invariant. We demonstrate similar characteristics for models trained with mini-batch (stochastic) gradient descent with small learning rates and provide a theoretical justification for this special scenario. When the learning rate is large, we show empirically that an outlier emerges with its corresponding eigenvector aligned to the training data structure. We also show that after adaptive gradient training, where we have a lower test error and feature learning emerges, both the weight and kernel matrices exhibit heavy tail behavior. Different spectral properties such as invariant bulk, spike, and heavy-tailed distribution correlate to how far the kernels deviate from initialization. To understand this phenomenon better, we focus on a toy model, a two-layer network on synthetic data, which exhibits different spectral properties for different training strategies. Analogous phenomena also appear when we train conventional neural networks with real-world data. Our results show that monitoring the evolution of the spectra during training is an important step toward understanding the training dynamics and feature learning.  ( 2 min )

Most graph neural networks (GNNs) use the message passing paradigm, in which node features are propagated on the input graph. Recent works pointed to the distortion of information flowing from distant nodes as a factor limiting the efficiency of message passing for tasks relying on long-distance interactions. This phenomenon, referred to as 'over-squashing', has been heuristically attributed to graph bottlenecks where the number of $k$-hop neighbors grows rapidly with $k$. We provide a precise description of the over-squashing phenomenon in GNNs and analyze how it arises from bottlenecks in the graph. For this purpose, we introduce a new edge-based combinatorial curvature and prove that negatively curved edges are responsible for the over-squashing issue. We also propose and experimentally test a curvature-based graph rewiring method to alleviate the over-squashing.

Despite their recent popularity and well-known advantages, dense retrievers still lag behind sparse methods such as BM25 in their ability to reliably match salient phrases and rare entities in the query and to generalize to out-of-domain data. It has been argued that this is an inherent limitation of dense models. We rebut this claim by introducing the Salient Phrase Aware Retriever (SPAR), a dense retriever with the lexical matching capacity of a sparse model. We show that a dense Lexical Model {\Lambda} can be trained to imitate a sparse one, and SPAR is built by augmenting a standard dense retriever with {\Lambda}. Empirically, SPAR shows superior performance on a range of tasks including five question answering datasets, MS MARCO passage retrieval, as well as the EntityQuestions and BEIR benchmarks for out-of-domain evaluation, exceeding the performance of state-of-the-art dense and sparse retrievers. The code and models of SPAR are available at: https://github.com/facebookresearch/dpr-scale/tree/main/spar

This paper presents a novel algorithm for the continuous control of dynamical systems that combines Trajectory Optimization (TO) and Reinforcement Learning (RL) in a single framework. The motivations behind this algorithm are the two main limitations of TO and RL when applied to continuous nonlinear systems to minimize a non-convex cost function. Specifically, TO can get stuck in poor local minima when the search is not initialized close to a ``good'' minimum. On the other hand, when dealing with continuous state and control spaces, the RL training process may be excessively long and strongly dependent on the exploration strategy. Thus, our algorithm learns a ``good'' control policy via TO-guided RL policy search that, when used as initial guess provider for TO, makes the trajectory optimization process less prone to converge to poor local optima. Our method is validated on several reaching problems featuring non-convex obstacle avoidance with different dynamical systems, including a car model with 6d state, and a 3-joint planar manipulator. Our results show the great capabilities of CACTO in escaping local minima, while being more computationally efficient than the DDPG RL algorithm.  ( 2 min )

Given the recent proliferation of false claims online, there has been a lot of manual fact-checking effort. As this is very time-consuming, human fact-checkers can benefit from tools that can support them and make them more efficient. Here, we focus on building a system that could provide such support. Given an input document, it aims to detect all sentences that contain a claim that can be verified by some previously fact-checked claims (from a given database). The output is a re-ranked list of the document sentences, so that those that can be verified are ranked as high as possible, together with corresponding evidence. Unlike previous work, which has looked into claim retrieval, here we take a document-level perspective. We create a new manually annotated dataset for this task, and we propose suitable evaluation measures. We further experiment with a learning-to-rank approach, achieving sizable performance gains over several strong baselines. Our analysis demonstrates the importance of modeling text similarity and stance, while also taking into account the veracity of the retrieved previously fact-checked claims. We believe that this research would be of interest to fact-checkers, journalists, media, and regulatory authorities.

Existing imitation learning works mainly assume that the demonstrator who collects demonstrations shares the same dynamics as the imitator. However, the assumption limits the usage of imitation learning, especially when collecting demonstrations for the imitator is difficult. In this paper, we study out-of-dynamics imitation learning (OOD-IL), which relaxes the assumption to that the demonstrator and the imitator have the same state spaces but could have different action spaces and dynamics. OOD-IL enables imitation learning to utilize demonstrations from a wide range of demonstrators but introduces a new challenge: some demonstrations cannot be achieved by the imitator due to the different dynamics. Prior works try to filter out such demonstrations by feasibility measurements, but ignore the fact that the demonstrations exhibit a multimodal distribution since the different demonstrators may take different policies in different dynamics. We develop a better transferability measurement to tackle this newly-emerged challenge. We firstly design a novel sequence-based contrastive clustering algorithm to cluster demonstrations from the same mode to avoid the mutual interference of demonstrations from different modes, and then learn the transferability of each demonstration with an adversarial-learning based algorithm in each cluster. Experiment results on several MuJoCo environments, a driving environment, and a simulated robot environment show that the proposed transferability measurement more accurately finds and down-weights non-transferable demonstrations and outperforms prior works on the final imitation learning performance. We show the videos of our experiment results on our website.

In this study, with the goal of reducing the early detection miss rate of colorectal cancer (CRC) polyps, we propose utilizing a novel hyper-sensitive vision-based tactile sensor called HySenSe and a complementary and novel machine learning (ML) architecture that explores the potentials of utilizing dilated convolutions, the beneficial features of the ResNet architecture, and the transfer learning concept applied on a small dataset with the scale of hundreds of images. The proposed tactile sensor provides high-resolution 3D textural images of CRC polyps that will be used for their accurate classification via the proposed dilated residual network. To collect realistic surface patterns of CRC polyps for training the ML models and evaluating their performance, we first designed and additively manufactured 160 unique realistic polyp phantoms consisting of 4 different hardness. Next, the proposed architecture was compared with the state-of-the-art ML models (e.g., AlexNet and DenseNet) and proved to be superior in terms of performance and complexity.  ( 2 min )

We present a novel algorithm to detect double nuclei galaxies (DNG) called GOTHIC (Graph BOosted iterated HIll Climbing) - that detects whether a given image of a galaxy has two or more closely separated nuclei. Our aim is to detect samples of dual or multiple active galactic nuclei (AGN) in galaxies. Although galaxy mergers are common, the detection of dual AGN is rare. Their detection is very important as they help us understand the formation of supermassive black hole (SMBH) binaries, SMBH growth and AGN feedback effects in multiple nuclei systems. There is thus a need for an algorithm to do a systematic survey of existing imaging data for the discovery of DNGs and dual AGN. We have tested GOTHIC on a known sample of DNGs and subsequently applied it to a sample of a million SDSS DR16 galaxies lying in the redshift range of 0 to 0.75 approximately, and have available spectroscopic data. We have detected 159 dual AGN in this sample, of which 2 are triple AGN systems. Our results show that dual AGN are not common, and triple AGN even rarer. The color (u-r) magnitude plots of the DNGs indicate that star formation is quenched as the nuclei come closer and as the AGN fraction increases. The quenching is especially prominent for dual/triple AGN galaxies that lie in the extreme end of the red sequence.

Discovering interaction effects on a response of interest is a fundamental problem faced in biology, medicine, economics, and many other scientific disciplines. In theory, Bayesian methods for discovering pairwise interactions enjoy many benefits such as coherent uncertainty quantification, the ability to incorporate background knowledge, and desirable shrinkage properties. In practice, however, Bayesian methods are often computationally intractable for even moderate-dimensional problems. Our key insight is that many hierarchical models of practical interest admit a particular Gaussian process (GP) representation; the GP allows us to capture the posterior with a vector of O(p) kernel hyper-parameters rather than O(p^2) interactions and main effects. With the implicit representation, we can run Markov chain Monte Carlo (MCMC) over model hyper-parameters in time and memory linear in p per iteration. We focus on sparsity-inducing models and show on datasets with a variety of covariate behaviors that our method: (1) reduces runtime by orders of magnitude over naive applications of MCMC, (2) provides lower Type I and Type II error relative to state-of-the-art LASSO-based approaches, and (3) offers improved computational scaling in high dimensions relative to existing Bayesian and LASSO-based approaches.

We introduce Air Learning, an open-source simulator, and a gym environment for deep reinforcement learning research on resource-constrained aerial robots. Equipped with domain randomization, Air Learning exposes a UAV agent to a diverse set of challenging scenarios. We seed the toolset with point-to-point obstacle avoidance tasks in three different environments and Deep Q Networks (DQN) and Proximal Policy Optimization (PPO) trainers. Air Learning assesses the policies' performance under various quality-of-flight (QoF) metrics, such as the energy consumed, endurance, and the average trajectory length, on resource-constrained embedded platforms like a Raspberry Pi. We find that the trajectories on an embedded Ras-Pi are vastly different from those predicted on a high-end desktop system, resulting in up to 40% longer trajectories in one of the environments. To understand the source of such discrepancies, we use Air Learning to artificially degrade high-end desktop performance to mimic what happens on a low-end embedded system. We then propose a mitigation technique that uses the hardware-in-the-loop to determine the latency distribution of running the policy on the target platform (onboard compute on the aerial robot). A randomly sampled latency from the latency distribution is then added as an artificial delay within the training loop. Training the policy with artificial delays allows us to minimize the hardware gap (discrepancy in the flight time metric reduced from 37.73% to 0.5%). Thus, Air Learning with hardware-in-the-loop characterizes those differences and exposes how the onboard compute's choice affects the aerial robot's performance. We also conduct reliability studies to assess the effect of sensor failures on the learned policies. All put together, Air Learning enables a broad class of deep RL research on UAVs. The source code is available at:this http URL

This paper notes a simple connection between synthetic control and online learning. Specifically, we recognize synthetic control as an instance of Follow-The-Leader (FTL). Standard results in online convex optimization then imply that, even when outcomes are chosen by an adversary, synthetic control predictions of counterfactual outcomes for the treated unit perform almost as well as an oracle weighted average of control units' outcomes. Synthetic control on differenced data performs almost as well as oracle weighted difference-in-differences, potentially making it an attractive choice in practice. We argue that this observation further supports the use of synthetic control estimators in comparative case studies.

When incrementally trained on new classes, deep neural networks are subject to catastrophic forgetting which leads to an extreme deterioration of their performance on the old classes while learning the new ones. Using a small memory containing few samples from past classes has shown to be an effective method to mitigate catastrophic forgetting. However, due to the limited size of the replay memory, there is a large imbalance between the number of samples for the new and the old classes in the training dataset resulting in bias in the final model. To address this issue, we propose to use the Balanced Softmax Cross-Entropy and show that it can be seamlessly combined with state-of-the-art approaches for class-incremental learning in order to improve their accuracy while also potentially decreasing the computational cost of the training procedure. We further extend this approach to the more demanding class-incremental learning without memory setting and achieve competitive results with memory-based approaches. Experiments on the challenging ImageNet, ImageNet-Subset and CIFAR100 benchmarks with various settings demonstrate the benefits of our approach.

In the field of medical image, deep convolutional neural networks(ConvNets) have achieved great success in the classification, segmentation, and registration tasks thanks to their unparalleled capacity to learn image features. However, these tasks often require large amounts of manually annotated data and are labor-intensive. Therefore, it is of significant importance for us to study unsupervised semantic feature learning tasks. In our work, we propose to learn features in medical images by training ConvNets to recognize the geometric transformation applied to images and present a simple self-supervised task that can easily predict the geometric transformation. We precisely define a set of geometric transformations in mathematical terms and generalize this model to 3D, taking into account the distinction between spatial and time dimensions. We evaluated our self-supervised method on CMR images of different modalities (bSSFP, T2, LGE) and achieved accuracies of 96.4%, 97.5%, and 96.4%, respectively. The code and models of our paper will be published on: https://github.com/gaoxin492/Geometric_Transformation_CMR

How do you incentivize self-interested agents to $\textit{explore}$ when they prefer to $\textit{exploit}$? We consider complex exploration problems, where each agent faces the same (but unknown) MDP. In contrast with traditional formulations of reinforcement learning, agents control the choice of policies, whereas an algorithm can only issue recommendations. However, the algorithm controls the flow of information, and can incentivize the agents to explore via information asymmetry. We design an algorithm which explores all reachable states in the MDP. We achieve provable guarantees similar to those for incentivizing exploration in static, stateless exploration problems studied previously. To the best of our knowledge, this is the first work to consider mechanism design in a stateful, reinforcement learning setting.

The first step in drug discovery is finding drug molecule moieties with medicinal activity against specific targets. Therefore, it is crucial to investigate the interaction between drug-target proteins and small chemical molecules. However, traditional experimental methods for discovering potential small drug molecules are labor-intensive and time-consuming. There is currently a lot of interest in building computational models to screen small drug molecules using drug molecule-related databases. In this paper, we propose a method for predicting drug-target binding affinity using deep learning models. This method uses a modified GRU and GNN to extract features from the drug-target protein sequences and the drug molecule map, respectively, to obtain their feature vectors. The combined vectors are used as vector representations of drug-target molecule pairs and then fed into a fully connected network to predict drug-target binding affinity. This proposed model demonstrates its accuracy and effectiveness in predicting drug-target binding affinity on the DAVIS and KIBA datasets.

Machine learning plays a role in many deployed decision systems, often in ways that are difficult or impossible to understand by human stakeholders. Explaining, in a human-understandable way, the relationship between the input and output of machine learning models is essential to the development of trustworthy machine learning based systems. A burgeoning body of research seeks to define the goals and methods of \emph{explainability} in machine learning. In this paper, we seek to review and categorize research on \emph{counterfactual explanations}, a specific class of explanation that provides a link between what could have happened had input to a model been changed in a particular way. Modern approaches to counterfactual explainability in machine learning draw connections to the established legal doctrine in many countries, making them appealing to fielded systems in high-impact areas such as finance and healthcare. Thus, we design a rubric with desirable properties of counterfactual explanation algorithms and comprehensively evaluate all currently proposed algorithms against that rubric. Our rubric provides easy comparison and comprehension of the advantages and disadvantages of different approaches and serves as an introduction to major research themes in this field. We also identify gaps and discuss promising research directions in the space of counterfactual explainability.

The effectiveness of Bayesian Additive Regression Trees (BART) has been demonstrated in a variety of contexts including non-parametric regression and classification. A BART scheme for estimating the intensity of inhomogeneous Poisson processes is introduced. Poisson intensity estimation is a vital task in various applications including medical imaging, astrophysics and network traffic analysis. The new approach enables full posterior inference of the intensity in a non-parametric regression setting. The performance of the novel scheme is demonstrated through simulation studies on synthetic and real datasets up to five dimensions, and the new scheme is compared with alternative approaches.

We explore the algebraic properties of a generalized version of the iterated-sums signature, inspired by previous work of F.~Kir\'aly and H.~Oberhauser. In particular, we show how to recover the character property of the associated linear map over the tensor algebra by considering a deformed quasi-shuffle product of words on the latter. We introduce three non-linear transformations on iterated-sums signatures, close in spirit to Machine Learning applications, and show some of their properties.

In this paper, we propose a new method for knowledge base completion (KBC): instance-based learning (IBL). For example, to answer (Jill Biden, lived city,? ), instead of going directly to Washington D.C., our goal is to find Joe Biden, who has the same lived city as Jill Biden. Through prototype entities, IBL provides interpretability. We develop theories for modeling prototypes and combining IBL with translational models. Experiments on various tasks confirmed the IBL model's effectiveness and interpretability. In addition, IBL shed light on the mechanism of rule-based KBC models. Previous research has generally agreed that rule-based models provide rules with semantically compatible premises and hypotheses. We challenge this view. We begin by demonstrating that some logical rules represent {\it instance-based equivalence} (i.e. prototypes) rather than semantic compatibility. These are denoted as {\it IBL rules}. Surprisingly, despite occupying only a small portion of the rule space, IBL rules outperform non-IBL rules in all four benchmarks. We use a variety of experiments to demonstrate that rule-based models work because they have the ability to represent instance-based equivalence via IBL rules. The findings provide new insights of how rule-based models work and how to interpret their rules.

Histological staining is the gold standard for tissue examination in clinical pathology and life-science research, which visualizes the tissue and cellular structures using chromatic dyes or fluorescence labels to aid the microscopic assessment of tissue. However, the current histological staining workflow requires tedious sample preparation steps, specialized laboratory infrastructure, and trained histotechnologists, making it expensive, time-consuming, and not accessible in resource-limited settings. Deep learning techniques created new opportunities to revolutionize staining methods by digitally generating histological stains using trained neural networks, providing rapid, cost-effective, and accurate alternatives to standard chemical staining methods. These techniques, broadly referred to as virtual staining, were extensively explored by multiple research groups and demonstrated to be successful in generating various types of histological stains from label-free microscopic images of unstained samples; similar approaches were also used for transforming images of an already stained tissue sample into another type of stain, performing virtual stain-to-stain transformations. In this Review, we provide a comprehensive overview of the recent research advances in deep learning-enabled virtual histological staining techniques. The basic concepts and the typical workflow of virtual staining are introduced, followed by a discussion of representative works and their technical innovations. We also share our perspectives on the future of this emerging field, aiming to inspire readers from diverse scientific fields to further expand the scope of deep learning-enabled virtual histological staining techniques and their applications.

Subspace clustering algorithms are used for understanding the cluster structure that explains the dataset well. These methods are extensively used for data-exploration tasks in various areas of Natural Sciences. However, most of these methods fail to handle unwanted biases in datasets. For datasets where a data sample represents multiple attributes, naively applying any clustering approach can result in undesired output. To this end, we propose a novel framework for jointly removing unwanted attributes (biases) while learning to cluster data points in individual subspaces. Assuming we have information about the bias, we regularize the clustering method by adversarially learning to minimize the mutual information between the data and the unwanted attributes. Our experimental result on synthetic and real-world datasets demonstrate the effectiveness of our approach.

In this work, we utilize the high-fidelity generation abilities of diffusion models to solve blind image restoration tasks, using JPEG artifact removal at high compression levels as an example. We propose an elegant modification of the forward stochastic differential equation of diffusion models to adapt them to restoration tasks and name our method DriftRec. Comparing DriftRec against an $L_2$ regression baseline with the same network architecture and a state-of-the-art technique for JPEG reconstruction, we show that our approach can escape both baselines' tendency to generate blurry images, and recovers the distribution of clean images significantly more faithfully while only requiring a dataset of clean/corrupted image pairs and no knowledge about the corruption operation. By utilizing the idea that the distributions of clean and corrupted images are much closer to each other than to a Gaussian prior, our approach requires only low levels of added noise, and thus needs comparatively few sampling steps even without further optimizations.

A successful machine learning (ML) algorithm often relies on a large amount of high-quality data to train well-performed models. Supervised learning approaches, such as deep learning techniques, generate high-quality ML functions for real-life applications, however with large costs and human efforts to label training data. Recent advancements in federated learning (FL) allow multiple data owners or organisations to collaboratively train a machine learning model without sharing raw data. In this light, vertical FL allows organisations to build a global model when the participating organisations have vertically partitioned data. Further, in the vertical FL setting the participating organisation generally requires fewer resources compared to sharing data directly, enabling lightweight and scalable distributed training solutions. However, privacy protection in vertical FL is challenging due to the communication of intermediate outputs and the gradients of model update. This invites adversary entities to infer other organisations underlying data. Thus, in this paper, we aim to explore how to protect the privacy of individual organisation data in a differential privacy (DP) setting. We run experiments with different real-world datasets and DP budgets. Our experimental results show that a trade-off point needs to be found to achieve a balance between the vertical FL performance and privacy protection in terms of the amount of perturbation noise.

Post-click conversion rate (CVR) prediction is an essential task for discovering user interests and increasing platform revenues in a range of industrial applications. One of the most challenging problems of this task is the existence of severe selection bias caused by the inherent self-selection behavior of users and the item selection process of systems. Currently, doubly robust (DR) learning approaches achieve the state-of-the-art performance for debiasing CVR prediction. However, in this paper, by theoretically analyzing the bias, variance and generalization bounds of DR methods, we find that existing DR approaches may have poor generalization caused by inaccurate estimation of propensity scores and imputation errors, which often occur in practice. Motivated by such analysis, we propose a generalized learning framework that not only unifies existing DR methods, but also provides a valuable opportunity to develop a series of new debiasing techniques to accommodate different application scenarios. Based on the framework, we propose two new DR methods, namely DR-BIAS and DR-MSE. DR-BIAS directly controls the bias of DR loss, while DR-MSE balances the bias and variance flexibly, which achieves better generalization performance. In addition, we propose a novel tri-level joint learning optimization method for DR-MSE in CVR prediction, and an efficient training algorithm correspondingly. We conduct extensive experiments on both real-world and semi-synthetic datasets, which validate the effectiveness of our proposed methods.

Human decision-making often involves combining similar states into categories and reasoning at the level of the categories rather than the actual states. Guided by this intuition, we propose a novel method for clustering state features in deep reinforcement learning (RL) methods to improve their interpretability. Specifically, we propose a plug-and-play framework termed \emph{vector quantized reinforcement learning} (VQ-RL) that extends classic RL pipelines with an auxiliary classification task based on vector quantized (VQ) encoding and aligns with policy training. The VQ encoding method categorizes features with similar semantics into clusters and results in tighter clusters with better separation compared to classic deep RL methods, thus enabling neural models to learn similarities and differences between states better. Furthermore, we introduce two regularization methods to help increase the separation between clusters and avoid the risks associated with VQ training. In simulations, we demonstrate that VQ-RL improves interpretability and investigate its impact on robustness and generalization of deep RL.

In this paper, we provide a theoretical tool for the interpretation and analysis of \emph{graph neural networks} (GNNs). We use Markov chains on graphs to mathematically model the forward propagation processes of GNNs. The graph neural networks are divided into two classes of operator-consistent and operator-inconsistent based on whether the Markov chains are time-homogeneous. Based on this, we study \emph{over-smoothing} which is an important problem in GNN research. We attribute the over-smoothing problem to the convergence of an arbitrary initial distribution to a stationary distribution. We prove the effectiveness of the previous methods for alleviating the over-smoothing problem. Further, we give the conclusion that operator-consistent GNN cannot avoid over-smoothing at an exponential rate in the Markovian sense. For operator-inconsistent GNN, we theoretically give a sufficient condition for avoiding over-smoothing. Based on this condition, we propose a regularization term which can be flexibly added to the training of the neural network. Finally, we design experiments to verify the effectiveness of this condition. Results show that our proposed sufficient condition not only improves the performance but also alleviates the over-smoothing phenomenon.

When performing complex tasks, humans naturally reason at multiple temporal and spatial resolutions simultaneously. We contend that for an artificially intelligent agent to effectively model human teammates, i.e., demonstrate computational theory of mind (ToM), it should do the same. In this paper, we present an approach for integrating high and low-resolution spatial and temporal information to predict human behavior in real time and evaluate it on data collected from human subjects performing simulated urban search and rescue (USAR) missions in a Minecraft-based environment. Our model composes neural networks for high and low-resolution feature extraction with a neural network for behavior prediction, with all three networks trained simultaneously. The high-resolution extractor encodes dynamically changing goals robustly by taking as input the Manhattan distance difference between the humans' Minecraft avatars and candidate goals in the environment for the latest few actions, computed from a high-resolution gridworld representation. In contrast, the low-resolution extractor encodes participants' historical behavior using a historical state matrix computed from a low-resolution graph representation. Through supervised learning, our model acquires a robust prior for human behavior prediction, and can effectively deal with long-term observations. Our experimental results demonstrate that our method significantly improves prediction accuracy compared to approaches that only use high-resolution information.

Highly accurate simulations of complex phenomena governed by partial differential equations (PDEs) typically require intrusive methods and entail expensive computational costs, which might become prohibitive when approximating steady-state solutions of PDEs for multiple combinations of control parameters and initial conditions. Therefore, constructing efficient reduced order models (ROMs) that enable accurate but fast predictions, while retaining the dynamical characteristics of the physical phenomenon as parameters vary, is of paramount importance. In this work, a data-driven, non-intrusive framework which combines ROM construction with reduced dynamics identification, is presented. Starting from a limited amount of full order solutions, the proposed approach leverages autoencoder neural networks with parametric sparse identification of nonlinear dynamics (SINDy) to construct a low-dimensional dynamical model which can be queried to efficiently compute full-time solutions at new parameter instances, as well as directly fed to continuation algorithms. These latter aim at tracking the evolution of periodic steady-state responses as functions of system parameters, avoiding the computation of the transient phase, and allowing to detect instabilities and bifurcations. Featuring an explicit and parametrized modeling of the reduced dynamics, the proposed data-driven framework presents remarkable capabilities to generalize both with respect to time and parameters. Applications to structural mechanics and fluid dynamics problems illustrate the effectiveness and accuracy of the method.

Graph structure learning (GSL), which aims to learn the adjacency matrix for graph neural networks (GNNs), has shown great potential in boosting the performance of GNNs. Most existing GSL works apply a joint learning framework where the estimated adjacency matrix and GNN parameters are optimized for downstream tasks. However, as GSL is essentially a link prediction task, whose goal may largely differ from the goal of the downstream task. The inconsistency of these two goals limits the GSL methods to learn the potential optimal graph structure. Moreover, the joint learning framework suffers from scalability issues in terms of time and space during the process of estimation and optimization of the adjacency matrix. To mitigate these issues, we propose a graph structure refinement (GSR) framework with a pretrain-finetune pipeline. Specifically, The pre-training phase aims to comprehensively estimate the underlying graph structure by a multi-view contrastive learning framework with both intra- and inter-view link prediction tasks. Then, the graph structure is refined by adding and removing edges according to the edge probabilities estimated by the pre-trained model. Finally, the fine-tuning GNN is initialized by the pre-trained model and optimized toward downstream tasks. With the refined graph structure remaining static in the fine-tuning space, GSR avoids estimating and optimizing graph structure in the fine-tuning phase which enjoys great scalability and efficiency. Moreover, the fine-tuning GNN is boosted by both migrating knowledge and refining graphs. Extensive experiments are conducted to evaluate the effectiveness (best performance on six benchmark datasets), efficiency, and scalability (13.8x faster using 32.8% GPU memory compared to the best GSL baseline on Cora) of the proposed model.

Much of the value that IoT (Internet-of-Things) devices bring to ``smart'' homes lies in their ability to automatically trigger other devices' actions: for example, a smart camera triggering a smart lock to unlock a door. Manually setting up these rules for smart devices or applications, however, is time-consuming and inefficient. Rule recommendation systems can automatically suggest rules for users by learning which rules are popular based on those previously deployed (e.g., in others' smart homes). Conventional recommendation formulations require a central server to record the rules used in many users' homes, which compromises their privacy and leaves them vulnerable to attacks on the central server's database of rules. Moreover, these solutions typically leverage generic user-item matrix methods that do not fully exploit the structure of the rule recommendation problem. In this paper, we propose a new rule recommendation system, dubbed as FedRule, to address these challenges. One graph is constructed per user upon the rules s/he is using, and the rule recommendation is formulated as a link prediction task in these graphs. This formulation enables us to design a federated training algorithm that is able to keep users' data private. Extensive experiments corroborate our claims by demonstrating that FedRule has comparable performance as the centralized setting and outperforms conventional solutions.

Reinforcement Learning (RL) is a popular machine learning paradigm where intelligent agents interact with the environment to fulfill a long-term goal. Driven by the resurgence of deep learning, Deep RL (DRL) has witnessed great success over a wide spectrum of complex control tasks. Despite the encouraging results achieved, the deep neural network-based backbone is widely deemed as a black box that impedes practitioners to trust and employ trained agents in realistic scenarios where high security and reliability are essential. To alleviate this issue, a large volume of literature devoted to shedding light on the inner workings of the intelligent agents has been proposed, by constructing intrinsic interpretability or post-hoc explainability. In this survey, we provide a comprehensive review of existing works on eXplainable RL (XRL) and introduce a new taxonomy where prior works are clearly categorized into model-explaining, reward-explaining, state-explaining, and task-explaining methods. We also review and highlight RL methods that conversely leverage human knowledge to promote learning efficiency and final performance of agents while this kind of method is often ignored in XRL field. Some open challenges and opportunities in XRL are discussed. This survey intends to provide a high-level summarization and better understanding of XRL and to motivate future research on more effective XRL solutions. Corresponding open source codes are collected and categorized at https://github.com/Plankson/awesome-explainable-reinforcement-learning.

In molecular and biological sciences, experiments are expensive, time-consuming, and often subject to ethical constraints. Consequently, one often faces the challenging task of predicting desirable properties from small data sets or scarcely-labeled data sets. Although transfer learning can be advantageous, it requires the existence of a related large data set. This work introduces three graph-based models incorporating Merriman-Bence-Osher (MBO) techniques to tackle this challenge. Specifically, graph-based modifications of the MBO scheme is integrated with state-of-the-art techniques, including a home-made transformer and an autoencoder, in order to deal with scarcely-labeled data sets. In addition, a consensus technique is detailed. The proposed models are validated using five benchmark data sets. We also provide a thorough comparison to other competing methods, such as support vector machines, random forests, and gradient boosted decision trees, which are known for their good performance on small data sets. The performances of various methods are analyzed using residue-similarity (R-S) scores and R-S indices. Extensive computational experiments and theoretical analysis show that the new models perform very well even when as little as 1% of the data set is used as labeled data.

Data-driven Clinical Decision Support Systems (CDSS) have the potential to improve and standardise care with personalised probabilistic guidance. However, the size of data required necessitates collaborative learning from analogous CDSS's, which are often unsharable or imperfectly interoperable (IIO), meaning their feature sets are not perfectly overlapping. We propose Modular Clinical Decision Support Networks (MoDN) which allow flexible, privacy-preserving learning across IIO datasets, while providing interpretable, continuous predictive feedback to the clinician. MoDN is a novel decision tree composed of feature-specific neural network modules. It creates dynamic personalised representations of patients, and can make multiple predictions of diagnoses, updatable at each step of a consultation. The modular design allows it to compartmentalise training updates to specific features and collaboratively learn between IIO datasets without sharing any data.

Temporal networks are suitable for modeling complex evolving systems. It has a wide range of applications, such as social network analysis, recommender systems, and epidemiology. Recently, modeling such dynamic systems has drawn great attention in many domains. However, most existing approaches resort to taking discrete snapshots of the temporal networks and modeling all events with equal importance. This paper proposes Significant Ties Graph Neural Networks (STGNN), a novel framework that captures and describes significant ties. To better model the diversity of interactions, STGNN introduces a novel aggregation mechanism to organize the most significant historical neighbors' information and adaptively obtain the significance of node pairs. Experimental results on four real networks demonstrate the effectiveness of the proposed framework.

Mobile cloud offloading is indispensable for inference tasks based on large-scale deep models. However, transmitting privacy-rich inference data to the cloud incurs concerns. This paper presents the design of a system called PriMask, in which the mobile device uses a secret small-scale neural network called MaskNet to mask the data before transmission. PriMask significantly weakens the cloud's capability to recover the data or extract certain private attributes. The MaskNet is em cascadable in that the mobile can opt in to or out of its use seamlessly without any modifications to the cloud's inference service. Moreover, the mobiles use different MaskNets, such that the collusion between the cloud and some mobiles does not weaken the protection for other mobiles. We devise a {\em split adversarial learning} method to train a neural network that generates a new MaskNet quickly (within two seconds) at run time. We apply PriMask to three mobile sensing applications with diverse modalities and complexities, i.e., human activity recognition, urban environment crowdsensing, and driver behavior recognition. Results show PriMask's effectiveness in all three applications.

To design a drug given a biological molecule by using deep learning methods, there are many successful models published recently. People commonly used generative models to design new molecules given certain protein. LiGAN was regarded as the baseline of deep learning model which was developed on convolutional neural networks. Recently, GraphBP showed its ability to predict innovative "real" chemicals that the binding affinity outperformed with traditional molecular docking methods by using a flow-based generative model with a graph neural network and multilayer perception. However, all those methods regarded proteins as rigid bodies and only include a very small part of proteins related to binding. However, the dynamics of proteins are essential for drug binding. Based on GraphBP, we proposed to generate more solid work derived from protein data bank. The results will be evaluated by validity and binding affinity by using a computational chemistry algorithm.

Mobile health apps provide a unique means of collecting data that can be used to deliver adaptive interventions.The predicted outcomes considerably influence the selection of such interventions. Recourse via counterfactuals provides tangible mechanisms to modify user predictions. By identifying plausible actions that increase the likelihood of a desired prediction, stakeholders are afforded agency over their predictions. Furthermore, recourse mechanisms enable counterfactual reasoning that can help provide insights into candidates for causal interventional features. We demonstrate the feasibility of GAN-generated recourse for mobile health applications on ensemble-survival-analysis-based prediction of medium-term engagement in the Safe Delivery App, a digital training tool for skilled birth attendants.

We introduce an architecture for processing signals supported on hypergraphs via graph neural networks (GNNs), which we call a Hyper-graph Expansion Neural Network (HENN), and provide the first bounds on the stability and transferability error of a hypergraph signal processing model. To do so, we provide a framework for bounding the stability and transferability error of GNNs across arbitrary graphs via spectral similarity. By bounding the difference between two graph shift operators (GSOs) in the positive semi-definite sense via their eigenvalue spectrum, we show that this error depends only on the properties of the GNN and the magnitude of spectral similarity of the GSOs. Moreover, we show that existing transferability results that assume the graphs are small perturbations of one another, or that the graphs are random and drawn from the same distribution or sampled from the same graphon can be recovered using our approach. Thus, both GNNs and our HENNs (trained using normalized Laplacians as graph shift operators) will be increasingly stable and transferable as the graphs become larger. Experimental results illustrate the importance of considering multiple graph representations in HENN, and show its superior performance when transferability is desired.

This paper leverages machine learned predictions to design online algorithms for the k-max and k-min search problems. Our algorithms can achieve performances competitive with the offline algorithm in hindsight when the predictions are accurate (i.e., consistency) and also provide worst-case guarantees when the predictions are arbitrarily wrong (i.e., robustness). Further, we show that our algorithms have attained the Pareto-optimal trade-off between consistency and robustness, where no other algorithms for k-max or k-min search can improve on the consistency for a given robustness. To demonstrate the performance of our algorithms, we evaluate them in experiments of buying and selling Bitcoin.

A common challenge in regression is that for many problems, the degrees of freedom required for a high-quality solution also allows for overfitting. Regularization is a class of strategies that seek to restrict the range of possible solutions so as to discourage overfitting while still enabling good solutions, and different regularization strategies impose different types of restrictions. In this paper, we present a multilevel regularization strategy that constructs and trains a hierarchy of neural networks, each of which has layers that are wider versions of the previous network's layers. We draw intuition and techniques from the field of Algebraic Multigrid (AMG), traditionally used for solving linear and nonlinear systems of equations, and specifically adapt the Full Approximation Scheme (FAS) for nonlinear systems of equations to the problem of deep learning. Training through V-cycles then encourage the neural networks to build a hierarchical understanding of the problem. We refer to this approach as \emph{multilevel-in-width} to distinguish from prior multilevel works which hierarchically alter the depth of neural networks. The resulting approach is a highly flexible framework that can be applied to a variety of layer types, which we demonstrate with both fully-connected and convolutional layers. We experimentally show with PDE regression problems that our multilevel training approach is an effective regularizer, improving the generalize performance of the neural networks studied.

Superresolution T2-weighted fetal-brain magnetic-resonance imaging (FBMRI) traditionally relies on the availability of several orthogonal low-resolution series of 2-dimensional thick slices (volumes). In practice, only a few low-resolution volumes are acquired. Thus, optimization-based image-reconstruction methods require strong regularization using hand-crafted regularizers (e.g., TV). Yet, due to in utero fetal motion and the rapidly changing fetal brain anatomy, the acquisition of the high-resolution images that are required to train supervised learning methods is difficult. In this paper, we sidestep this difficulty by providing a proof of concept of a self-supervised single-volume superresolution framework for T2-weighted FBMRI (SAIR). We validate SAIR quantitatively in a motion-free simulated environment. Our results for different noise levels and resolution ratios suggest that SAIR is comparable to multiple-volume superresolution reconstruction methods. We also evaluate SAIR qualitatively on clinical FBMRI data. The results suggest SAIR could be incorporated into current reconstruction pipelines.

We introduce new differentially private (DP) mechanisms for gradient-based machine learning (ML) training involving multiple passes (epochs) of a dataset, substantially improving the achievable privacy-utility-computation tradeoffs. Our key contribution is an extension of the online matrix factorization DP mechanism to multiple participations, substantially generalizing the approach of DMRST2022. We first give conditions under which it is possible to reduce the problem with per-iteration vector contributions to the simpler one of scalar contributions. Using this, we formulate the construction of optimal (in total squared error at each iterate) matrix mechanisms for SGD variants as a convex program. We propose an efficient optimization algorithm via a closed form solution to the dual function. While tractable, both solving the convex problem offline and computing the necessary noise masks during training can become prohibitively expensive when many training steps are necessary. To address this, we design a Fourier-transform-based mechanism with significantly less computation and only a minor utility decrease. Extensive empirical evaluation on two tasks: example-level DP for image classification and user-level DP for language modeling, demonstrate substantial improvements over the previous state-of-the-art. Though our primary application is to ML, we note our main DP results are applicable to arbitrary linear queries and hence may have much broader applicability.

In this innovative practice work-in-progress paper, we compare two different methods to teach machine learning concepts to undergraduate students in Electrical Engineering. While machine learning is now being offered as a senior-level elective in several curricula, this does not mean all students are exposed to it. Exposure to the concepts and practical applications of machine learning will assist in the creation of a workforce ready to tackle problems related to machine learning, currently a hot topic in industry. Preliminary assessments indicate that this approach promotes student learning. While students prefer the proposed side-by-side teaching approach, numerical comparisons show that the workshop approach may be more effective for student learning, indicating that further work in this area is required.

This paper introduces RISE, a robust individualized decision learning framework with sensitive variables, where sensitive variables are collectible data and important to the intervention decision, but their inclusion in decision making is prohibited due to reasons such as delayed availability or fairness concerns. A naive baseline is to ignore these sensitive variables in learning decision rules, leading to significant uncertainty and bias. To address this, we propose a decision learning framework to incorporate sensitive variables during offline training but not include them in the input of the learned decision rule during model deployment. Specifically, from a causal perspective, the proposed framework intends to improve the worst-case outcomes of individuals caused by sensitive variables that are unavailable at the time of decision. Unlike most existing literature that uses mean-optimal objectives, we propose a robust learning framework by finding a newly defined quantile- or infimum-optimal decision rule. The reliable performance of the proposed method is demonstrated through synthetic experiments and three real-world applications.

Deep learning models develop successive representations of their input in sequential layers, the last of which maps the final representation to the output. Here we investigate the informational content of these representations by observing the ability of convolutional image classification models to autoencode the model's input using embeddings existing in various layers. We find that the deeper the layer, the less accurate that layer's representation of the input is before training. Inaccurate representation results from non-uniqueness in which various distinct inputs give approximately the same embedding. Non-unique representation is a consequence of both exact and approximate non-invertibility of transformations present in the forward pass. Learning to classify natural images leads to an increase in representation clarity for early but not late layers, which instead form abstract images. Rather than simply selecting for features present in the input necessary for classification, deep layer representations are found to transform the input so that it matches representations of the training data such that arbitrary inputs are mapped to manifolds learned during training. This work provides support for the theory that the tasks of image recognition and input generation are inseparable even for models trained exclusively to classify.

Symmetry-based neural networks often constrain the architecture in order to achieve invariance or equivariance to a group of transformations. In this paper, we propose an alternative that avoids this architectural constraint by learning to produce a canonical representation of the data. These canonicalization functions can readily be plugged into non-equivariant backbone architectures. We offer explicit ways to implement them for many groups of interest. We show that this approach enjoys universality while providing interpretable insights. Our main hypothesis is that learning a neural network to perform canonicalization is better than using predefined heuristics. Our results show that learning the canonicalization function indeed leads to better results and that the approach achieves excellent performance in practice.

The ability to extrapolate from short problem instances to longer ones is an important form of out-of-distribution generalization in reasoning tasks, and is crucial when learning from datasets where longer problem instances are rare. These include theorem proving, solving quantitative mathematics problems, and reading/summarizing novels. In this paper, we run careful empirical studies exploring the length generalization capabilities of transformer-based language models. We first establish that naively finetuning transformers on length generalization tasks shows significant generalization deficiencies independent of model scale. We then show that combining pretrained large language models' in-context learning abilities with scratchpad prompting (asking the model to output solution steps before producing an answer) results in a dramatic improvement in length generalization. We run careful failure analyses on each of the learning modalities and identify common sources of mistakes that highlight opportunities in equipping language models with the ability to generalize to longer problems.

Gradient descent or its variants are popular in training neural networks. However, in deep Q-learning with neural network approximation, a type of reinforcement learning, gradient descent (also known as Residual Gradient (RG)) is barely used to solve Bellman residual minimization problem. On the contrary, Temporal Difference (TD), an incomplete gradient descent method prevails. In this work, we perform extensive experiments to show that TD outperforms RG, that is, when the training leads to a small Bellman residual error, the solution found by TD has a better policy and is more robust against the perturbation of neural network parameters. We further use experiments to reveal a key difference between reinforcement learning and supervised learning, that is, a small Bellman residual error can correspond to a bad policy in reinforcement learning while the test loss function in supervised learning is a standard index to indicate the performance. We also empirically examine that the missing term in TD is a key reason why RG performs badly. Our work shows that the performance of a deep Q-learning solution is closely related to the training dynamics and how an incomplete gradient descent method can find a good policy is interesting for future study.

We consider dynamic multi-product pricing and assortment problems under an unknown demand over T periods, where in each period, the seller decides on the price for each product or the assortment of products to offer to a customer who chooses according to an unknown Multinomial Logit Model (MNL). Such problems arise in many applications, including online retail and advertising. We propose a randomized dynamic pricing policy based on a variant of the Online Newton Step algorithm (ONS) that achieves a $O(d\sqrt{T}\log(T))$ regret guarantee under an adversarial arrival model. We also present a new optimistic algorithm for the adversarial MNL contextual bandits problem, which achieves a better dependency than the state-of-the-art algorithms in a problem-dependent constant $\kappa_2$ (potentially exponentially small). Our regret upper bound scales as $\tilde{O}(d\sqrt{\kappa_2 T}+ \log(T)/\kappa_2)$, which gives a stronger bound than the existing $\tilde{O}(d\sqrt{T}/\kappa_2)$ guarantees.

Deep reinforcement learning continues to show tremendous potential in achieving task-level autonomy, however, its computational and energy demands remain prohibitively high. In this paper, we tackle this problem by applying quantization to reinforcement learning. To that end, we introduce a novel Reinforcement Learning (RL) training paradigm, \textit{ActorQ}, to speed up actor-learner distributed RL training. \textit{ActorQ} leverages 8-bit quantized actors to speed up data collection without affecting learning convergence. Our quantized distributed RL training system, \textit{ActorQ}, demonstrates end-to-end speedups \blue{between 1.5 $\times$ and 5.41$\times$}, and faster convergence over full precision training on a range of tasks (Deepmind Control Suite) and different RL algorithms (D4PG, DQN). Furthermore, we compare the carbon emissions (Kgs of CO2) of \textit{ActorQ} versus standard reinforcement learning \blue{algorithms} on various tasks. Across various settings, we show that \textit{ActorQ} enables more environmentally friendly reinforcement learning by achieving \blue{carbon emission improvements between 1.9$\times$ and 3.76$\times$} compared to training RL-agents in full-precision. We believe that this is the first of many future works on enabling computationally energy-efficient and sustainable reinforcement learning. The source code is available here for the public to use: \url{https://github.com/harvard-edge/QuaRL}.

In this paper, we propose physics-informed neural operators (PINO) that uses available data and/or physics constraints to learn the solution operator of a family of parametric Partial Differential Equation (PDE). This hybrid approach allows PINO to overcome the limitations of purely data-driven and physics-based methods. For instance, data-driven methods fail to learn when data is of limited quantity and/or quality, and physics-based approaches fail to optimize on challenging PDE constraints. By combining both data and PDE constraints, PINO overcomes all these challenges. Additionally, a unique property that PINO enjoys over other hybrid learning methods is its ability to incorporate data and PDE constraints at different resolutions. This allows us to combine coarse-resolution data, which is inexpensive to obtain from numerical solvers, with higher resolution PDE constraints, and the resulting PINO has no degradation in accuracy even on high-resolution test instances. This discretization-invariance property in PINO is due to neural-operator framework which learns mappings between function spaces and allows evaluation at different resolutions without the need for re-training. Moreover, PINO succeeds in the purely physics setting, where no data is available, while other approaches such as the Physics-Informed Neural Network (PINN) fail due to optimization challenges, e.g. in multi-scale dynamic systems such as Kolmogorov flows. This is because PINO learns the solution operator by optimizing PDE constraints on multiple instances while PINN optimizes PDE constraints of a single PDE instance. Further, in PINO, we incorporate the Fourier neural operator (FNO) architecture which achieves orders-of-magnitude speedup over numerical solvers and also allows us to compute explicit gradients on function spaces efficiently.

We give superpolynomial statistical query (SQ) lower bounds for learning two-hidden-layer ReLU networks with respect to Gaussian inputs in the standard (noise-free) model. No general SQ lower bounds were known for learning ReLU networks of any depth in this setting: previous SQ lower bounds held only for adversarial noise models (agnostic learning) or restricted models such as correlational SQ. Prior work hinted at the impossibility of our result: Vempala and Wilmes showed that general SQ lower bounds cannot apply to any real-valued family of functions that satisfies a simple non-degeneracy condition. To circumvent their result, we refine a lifting procedure due to Daniely and Vardi that reduces Boolean PAC learning problems to Gaussian ones. We show how to extend their technique to other learning models and, in many well-studied cases, obtain a more efficient reduction. As such, we also prove new cryptographic hardness results for PAC learning two-hidden-layer ReLU networks, as well as new lower bounds for learning constant-depth ReLU networks from label queries.

Monumental advances in deep learning have led to unprecedented achievements across various domains. While the performance of deep neural networks is indubitable, the architectural design and interpretability of such models are nontrivial. Research has been introduced to automate the design of neural network architectures through neural architecture search (NAS). Recent progress has made these methods more pragmatic by exploiting distributed computation and novel optimization algorithms. However, there is little work in optimizing architectures for interpretability. To this end, we propose a multi-objective distributed NAS framework that optimizes for both task performance and "introspectability," a surrogate metric for aspects of interpretability. We leverage the non-dominated sorting genetic algorithm (NSGA-II) and explainable AI (XAI) techniques to reward architectures that can be better comprehended by domain experts. The framework is evaluated on several image classification datasets. We demonstrate that jointly optimizing for task error and introspectability leads to more disentangled and debuggable architectures that perform within tolerable error.

We consider the classical multi-armed bandit problem with Markovian rewards. When played an arm changes its state in a Markovian fashion while it remains frozen when not played. The player receives a state-dependent reward each time it plays an arm. The number of states and the state transition probabilities of an arm are unknown to the player. The player's objective is to maximize its long-term total reward by learning the best arm over time. We show that under certain conditions on the state transition probabilities of the arms, a sample mean based index policy achieves logarithmic regret uniformly over the total number of trials. The result shows that sample mean based index policies can be applied to learning problems under the rested Markovian bandit model without loss of optimality in the order. Moreover, comparision between Anantharam's index policy and UCB shows that by choosing a small exploration parameter UCB can have a smaller regret than Anantharam's index policy.

Magnetic materials are crucial components of many technologies that could drive the ecological transition, including electric motors, wind turbine generators and magnetic refrigeration systems. Discovering materials with large magnetic moments is therefore an increasing priority. Here, using state-of-the-art machine learning methods, we scan the Inorganic Crystal Structure Database (ICSD) of hundreds of thousands of existing materials to find those that are ferromagnetic and have large magnetic moments. Crystal graph convolutional neural networks (CGCNN), materials graph network (MEGNet) and random forests are trained on the Materials Project database that contains the results of high-throughput DFT predictions. For random forests, we use a stochastic method to select nearly one hundred relevant descriptors based on chemical composition and crystal structure. This gives results that are comparable to those of neural networks. The comparison between these different machine learning approaches gives an estimate of the errors for our predictions on the ICSD database. Validating our final predictions by comparisons with available experimental data, we found 15 materials that are likely to have large magnetic moments and have not been yet studied experimentally.

Machine Learning has become the bedrock of recent advances in text, image, video, and audio processing and generation. Most production systems deal with several models during deployment and training, each with a variety of tuned hyperparameters. Furthermore, data collection and processing aspects of ML pipelines are receiving increasing interest due to their importance in creating sustainable high-quality classifiers. We present EdnaML, a framework with a declarative API for reproducible deep learning. EdnaML provides low-level building blocks that can be composed manually, as well as a high-level pipeline orchestration API to automate data collection, data processing, classifier training, classifier deployment, and model monitoring. Our layered API allows users to manage ML pipelines at high-level component abstractions, while providing flexibility to modify any part of it through the building blocks. We present several examples of ML pipelines with EdnaML, including a large-scale fake news labeling and classification system with six sub-pipelines managed by EdnaML.

We describe the current content moderation strategy employed by Meta to remove policy-violating content from its platforms. Meta relies on both handcrafted and learned risk models to flag potentially violating content for human review. Our approach aggregates these risk models into a single ranking score, calibrating them to prioritize more reliable risk models. A key challenge is that violation trends change over time, affecting which risk models are most reliable. Our system additionally handles production challenges such as changing risk models and novel risk models. We use a contextual bandit to update the calibration in response to such trends. Our approach increases Meta's top-line metric for measuring the effectiveness of its content moderation strategy by 13%.

Unpacking and comprehending how deep learning algorithms make decisions has been a persistent challenge for researchers and end-users. Explaining time-series predictive models is useful for clinical applications with high stakes to understand the behavior of prediction models. However, existing approaches to explain such models are frequently unique to architectures and data where the features do not have a time-varying component. In this paper, we introduce WindowSHAP, a model-agnostic framework for explaining time-series classifiers using Shapley values. We intend for WindowSHAP to mitigate the computational complexity of calculating Shapley values for long time-series data as well as improve the quality of explanations. WindowSHAP is based on partitioning a sequence into time windows. Under this framework, we present three distinct algorithms of Stationary, Sliding and Dynamic WindowSHAP, each evaluated against baseline approaches, KernelSHAP and TimeSHAP, using perturbation and sequence analyses metrics. We applied our framework to clinical time-series data from both a specialized clinical domain (Traumatic Brain Injury - TBI) as well as a broad clinical domain (critical care medicine). The experimental results demonstrate that, based on the two quantitative metrics, our framework is superior at explaining clinical time-series classifiers, while also reducing the complexity of computations. We show that for time-series data with 120 time steps (hours), merging 10 adjacent time points can reduce the CPU time of WindowSHAP by 80% compared to KernelSHAP. We also show that our Dynamic WindowSHAP algorithm focuses more on the most important time steps and provides more understandable explanations. As a result, WindowSHAP not only accelerates the calculation of Shapley values for time-series data, but also delivers more understandable explanations with higher quality.

Physiological computing uses human physiological data as system inputs in real time. It includes, or significantly overlaps with, brain-computer interfaces, affective computing, adaptive automation, health informatics, and physiological signal based biometrics. Physiological computing increases the communication bandwidth from the user to the computer, but is also subject to various types of adversarial attacks, in which the attacker deliberately manipulates the training and/or test examples to hijack the machine learning algorithm output, leading to possible user confusion, frustration, injury, or even death. However, the vulnerability of physiological computing systems has not been paid enough attention to, and there does not exist a comprehensive review on adversarial attacks to them. This paper fills this gap, by providing a systematic review on the main research areas of physiological computing, different types of adversarial attacks and their applications to physiological computing, and the corresponding defense strategies. We hope this review will attract more research interests on the vulnerability of physiological computing systems, and more importantly, defense strategies to make them more secure.

While neural networks-based photo processing solutions can provide a better image quality compared to the traditional ISP systems, their application to mobile devices is still very limited due to their very high computational complexity. In this paper, we present a novel MicroISP model designed specifically for edge devices, taking into account their computational and memory limitations. The proposed solution is capable of processing up to 32MP photos on recent smartphones using the standard mobile ML libraries and requiring less than 1 second to perform the inference, while for FullHD images it achieves real-time performance. The architecture of the model is flexible, allowing to adjust its complexity to devices of different computational power. To evaluate the performance of the model, we collected a novel Fujifilm UltraISP dataset consisting of thousands of paired photos captured with a normal mobile camera sensor and a professional 102MP medium-format FujiFilm GFX100 camera. The experiments demonstrated that, despite its compact size, the MicroISP model is able to provide comparable or better visual results than the traditional mobile ISP systems, while outperforming the previously proposed efficient deep learning based solutions. Finally, this model is also compatible with the latest mobile AI accelerators, achieving good runtime and low power consumption on smartphone NPUs and APUs. The code, dataset and pre-trained models are available on the project website: https://people.ee.ethz.ch/~ihnatova/microisp.html

Conditional Independence (CI) graphs are a type of probabilistic graphical models that are primarily used to gain insights about feature relationships. Each edge represents the partial correlation between the connected features which gives information about their direct dependence. In this survey, we list out different methods and study the advances in techniques developed to recover CI graphs. We cover traditional optimization methods as well as recently developed deep learning architectures along with their recommended implementations. To facilitate wider adoption, we include preliminaries that consolidate associated operations, for example techniques to obtain covariance matrix for mixed datatypes.

Understanding predictions made by deep neural networks is notoriously difficult, but also crucial to their dissemination. As all machine learning based methods, they are as good as their training data, and can also capture unwanted biases. While there are tools that can help understand whether such biases exist, they do not distinguish between correlation and causation, and might be ill-suited for text-based models and for reasoning about high level language concepts. A key problem of estimating the causal effect of a concept of interest on a given model is that this estimation requires the generation of counterfactual examples, which is challenging with existing generation technology. To bridge that gap, we propose CausaLM, a framework for producing causal model explanations using counterfactual language representation models. Our approach is based on fine-tuning of deep contextualized embedding models with auxiliary adversarial tasks derived from the causal graph of the problem. Concretely, we show that by carefully choosing auxiliary adversarial pre-training tasks, language representation models such as BERT can effectively learn a counterfactual representation for a given concept of interest, and be used to estimate its true causal effect on model performance. A byproduct of our method is a language representation model that is unaffected by the tested concept, which can be useful in mitigating unwanted bias ingrained in the data.

Business intelligence (BI) is any knowledge derived from existing data that may be strategically applied within a business. Data mining is a technique or method for extracting BI from data using statistical data modeling. Finding relationships or correlations between the various data items that have been collected can be used to boost business performance or at the very least better comprehend what is going on. Root cause analysis (RCA) is discovering the root causes of problems or events to identify appropriate solutions. RCA can show why an event occurred and this can help in avoiding occurrences of an issue in the future. This paper proposes a new clustering + association rule mining pipeline for getting business insights from data. The results of this pipeline are in the form of association rules having consequents, antecedents, and various metrics to evaluate these rules. The results of this pipeline can help in anchoring important business decisions and can also be used by data scientists for updating existing models or while developing new ones. The occurrence of any event is explained by its antecedents in the generated rules. Hence this output can also help in data-driven root cause analysis.  ( 2 min )

In recent years, quantum has been attracted by various fields such as quantum machine learning, quantum communication, and quantum computers. Among them, quantum federated learning (QFL) has recently received increasing attention, where quantum neural networks (QNNs) are integrated into federated learning (FL). In contrast to the existing QFL methods, we propose quantum split learning (QSL), which is the extension version of split learning. In classical computing, split learning has shown many advantages in faster convergence, communication cost, and even privacy. To fully utilize QSL, we propose crosschannel pooling which leverages the unique nature of quantum state tomography that is made by QNN. In numerical results, we corroborate that QSL achieves not only 1.64% higher top-1 accuracy than QFL but shows privacy-preserving in the MNIST classification task.  ( 2 min )

Dark patterns, which are user interface designs in online services, induce users to take unintended actions. Recently, dark patterns have been raised as an issue of privacy and fairness. Thus, a wide range of research on detecting dark patterns is eagerly awaited. In this work, we constructed a dataset for dark pattern detection and prepared its baseline detection performance with state-of-the-art machine learning methods. The original dataset was obtained from Mathur et al.'s study in 2019, which consists of 1,818 dark pattern texts from shopping sites. Then, we added negative samples, i.e., non-dark pattern texts, by retrieving texts from the same websites as Mathur et al.'s dataset. We also applied state-of-the-art machine learning methods to show the automatic detection accuracy as baselines, including BERT, RoBERTa, ALBERT, and XLNet. As a result of 5-fold cross-validation, we achieved the highest accuracy of 0.975 with RoBERTa. The dataset and baseline source codes are available at https://github.com/yamanalab/ec-darkpattern.  ( 2 min )

In applications involving sensitive data, such as finance and healthcare, the necessity for preserving data privacy can be a significant barrier to machine learning model development. Differential privacy (DP) has emerged as one canonical standard for provable privacy. However, DP's strong theoretical guarantees often come at the cost of a large drop in its utility for machine learning, and DP guarantees themselves can be difficult to interpret. In this work, we propose a novel privacy notion, membership inference privacy (MIP), to address these challenges. We give a precise characterization of the relationship between MIP and DP, and show that MIP can be achieved using less amount of randomness compared to the amount required for guaranteeing DP, leading to a smaller drop in utility. MIP guarantees are also easily interpretable in terms of the success rate of membership inference attacks. Our theoretical results also give rise to a simple algorithm for guaranteeing MIP which can be used as a wrapper around any algorithm with a continuous output, including parametric model training.  ( 2 min )

Predictive models for marine ecosystems are used for a variety of needs. Due to sparse measurements and limited understanding of the myriad of ocean processes, there is however uncertainty. There is model uncertainty in the parameter values, functional forms with diverse parameterizations, level of complexity needed, and thus in the state fields. We develop a principled Bayesian model learning methodology that allows interpolation in the space of candidate models and discovery of new models, all while estimating state fields and parameter values, as well as the joint probability distributions of all learned quantities. We address the challenges of high-dimensional and multidisciplinary dynamics governed by partial differential equations (PDEs) by using state augmentation and the computationally efficient Gaussian Mixture Model - Dynamically Orthogonal filter. Our innovations include special stochastic parameters to unify candidate models into a single general model and stochastic piecewise function approximations to generate dense candidate model spaces. They allow handling many candidate models, possibly none of which are accurate, and learning elusive unknown functional forms in compatible and embedded models. Our new methodology is generalizable and interpretable and extrapolates out of the space of models to discover new ones. We perform a series of twin experiments based on flows past a seamount coupled with three-to-five component ecosystem models, including flows with chaotic advection. We quantify learning skills, and evaluate convergence and sensitivity to hyper-parameters. Our PDE framework successfully discriminates among model candidates, learns in the absence of prior knowledge by searching in dense function spaces, and updates joint probabilities while capturing non-Gaussian statistics. The parameter values and model formulations that best explain the data are identified.  ( 3 min )

Learning causal structure is useful in many areas of artificial intelligence, including planning, robotics, and explanation. Constraint-based structure learning algorithms such as PC use conditional independence (CI) tests to infer causal structure. Traditionally, constraint-based algorithms perform CI tests with a preference for smaller-sized conditioning sets, partially because the statistical power of conventional CI tests declines rapidly as the size of the conditioning set increases. However, many modern conditional independence tests are model-based, and these tests use well-regularized models that maintain statistical power even with very large conditioning sets. This suggests an intriguing new strategy for constraint-based algorithms which may result in a reduction of the total number of CI tests performed: Test variable pairs with large conditioning sets first, as a pre-processing step that finds some conditional independencies quickly, before moving on to the more conventional strategy that favors small conditioning sets. We propose such a pre-processing step for the PC algorithm which relies on performing CI tests on a few randomly selected large conditioning sets. We perform an empirical analysis on directed acyclic graphs (DAGs) that correspond to real-world systems and both empirical and theoretical analyses for Erd\H{o}s-Renyi DAGs. Our results show that Pre-Processing Plus PC (P3PC) performs far fewer CI tests than the original PC algorithm, between 0.5% to 36%, and often less than 10%, of the CI tests that the PC algorithm alone performs. The efficiency gains are particularly significant for the DAGs corresponding to real-world systems.  ( 2 min )

Graph Neural Networks (GNNs) have become widely-used models for semi-supervised learning. However, the robustness of GNNs in the presence of label noise remains a largely under-explored problem. In this paper, we consider an important yet challenging scenario where labels on nodes of graphs are not only noisy but also scarce. In this scenario, the performance of GNNs is prone to degrade due to label noise propagation and insufficient learning. To address these issues, we propose a novel RTGNN (Robust Training of Graph Neural Networks via Noise Governance) framework that achieves better robustness by learning to explicitly govern label noise. More specifically, we introduce self-reinforcement and consistency regularization as supplemental supervision. The self-reinforcement supervision is inspired by the memorization effects of deep neural networks and aims to correct noisy labels. Further, the consistency regularization prevents GNNs from overfitting to noisy labels via mimicry loss in both the inter-view and intra-view perspectives. To leverage such supervisions, we divide labels into clean and noisy types, rectify inaccurate labels, and further generate pseudo-labels on unlabeled nodes. Supervision for nodes with different types of labels is then chosen adaptively. This enables sufficient learning from clean labels while limiting the impact of noisy ones. We conduct extensive experiments to evaluate the effectiveness of our RTGNN framework, and the results validate its consistent superior performance over state-of-the-art methods with two types of label noises and various noise rates.  ( 2 min )

Personal data collected at scale promises to improve decision-making and accelerate innovation. However, sharing and using such data raises serious privacy concerns. A promising solution is to produce synthetic data, artificial records to share instead of real data. Since synthetic records are not linked to real persons, this intuitively prevents classical re-identification attacks. However, this is insufficient to protect privacy. We here present TAPAS, a toolbox of attacks to evaluate synthetic data privacy under a wide range of scenarios. These attacks include generalizations of prior works and novel attacks. We also introduce a general framework for reasoning about privacy threats to synthetic data and showcase TAPAS on several examples.  ( 2 min )

It has been shown recently that deep learning based models are effective on speech quality prediction and could outperform traditional metrics in various perspectives. Although network models have potential to be a surrogate for complex human hearing perception, they may contain instabilities in predictions. This work shows that deep speech quality predictors can be vulnerable to adversarial perturbations, where the prediction can be changed drastically by unnoticeable perturbations as small as $-30$ dB compared with speech inputs. In addition to exposing the vulnerability of deep speech quality predictors, we further explore and confirm the viability of adversarial training for strengthening robustness of models.  ( 2 min )

Reinforcement learning from human feedback (RLHF) is a powerful technique for training agents to perform difficult-to-specify tasks. However, human feedback can be noisy, particularly when human teachers lack relevant knowledge or experience. Levels of expertise vary across teachers, and a given teacher may have differing levels of expertise for different components of a task. RLHF algorithms that learn from multiple teachers therefore face an expertise problem: the reliability of a given piece of feedback depends both on the teacher that it comes from and how specialized that teacher is on relevant components of the task. Existing state-of-the-art RLHF algorithms assume that all evaluations come from the same distribution, obscuring this inter- and intra-human variance, and preventing them from accounting for or taking advantage of variations in expertise. We formalize this problem, implement it as an extension of an existing RLHF benchmark, evaluate the performance of a state-of-the-art RLHF algorithm, and explore techniques to improve query and teacher selection. Our key contribution is to demonstrate and characterize the expertise problem, and to provide an open-source implementation for testing future solutions.  ( 2 min )

We present a unified system to realize one-shot voice conversion (VC) on the pitch, rhythm, and speaker attributes. Existing works generally ignore the correlation between prosody and language content, leading to the degradation of naturalness in converted speech. Additionally, the lack of proper language features prevents these systems from accurately preserving language content after conversion. To address these issues, we devise a cascaded modular system leveraging self-supervised discrete speech units as language representation. These discrete units provide duration information essential for rhythm modeling. Our system first extracts utterance-level prosody and speaker representations from the raw waveform. Given the prosody representation, a prosody predictor estimates pitch, energy, and duration for each discrete unit in the utterance. A synthesizer further reconstructs speech based on the predicted prosody, speaker representation, and discrete units. Experiments show that our system outperforms previous approaches in naturalness, intelligibility, speaker transferability, and prosody transferability. Code and samples are publicly available.  ( 2 min )

Dialogue systems, commonly known as chatbots, have gained escalating popularity in recent times due to their wide-spread applications in carrying out chit-chat conversations with users and task-oriented dialogues to accomplish various user tasks. Existing chatbots are usually trained from pre-collected and manually-labeled data and/or written with handcrafted rules. Many also use manually-compiled knowledge bases (KBs). Their ability to understand natural language is still limited, and they tend to produce many errors resulting in poor user satisfaction. Typically, they need to be constantly improved by engineers with more labeled data and more manually compiled knowledge. This book introduces the new paradigm of lifelong learning dialogue systems to endow chatbots the ability to learn continually by themselves through their own self-initiated interactions with their users and working environments to improve themselves. As the systems chat more and more with users or learn more and more from external sources, they become more and more knowledgeable and better and better at conversing. The book presents the latest developments and techniques for building such continual learning dialogue systems that continuously learn new language expressions and lexical and factual knowledge during conversation from users and off conversation from external sources, acquire new training examples during conversation, and learn conversational skills. Apart from these general topics, existing works on continual learning of some specific aspects of dialogue systems are also surveyed. The book concludes with a discussion of open challenges for future research.  ( 2 min )

We tackle the task of NeRF inversion for style-based neural radiance fields, (e.g., StyleNeRF). In the task, we aim to learn an inversion function to project an input image to the latent space of a NeRF generator and then synthesize novel views of the original image based on the latent code. Compared with GAN inversion for 2D generative models, NeRF inversion not only needs to 1) preserve the identity of the input image, but also 2) ensure 3D consistency in generated novel views. This requires the latent code obtained from the single-view image to be invariant across multiple views. To address this new challenge, we propose a two-stage encoder for style-based NeRF inversion. In the first stage, we introduce a base encoder that converts the input image to a latent code. To ensure the latent code is view-invariant and is able to synthesize 3D consistent novel view images, we utilize identity contrastive learning to train the base encoder. Second, to better preserve the identity of the input image, we introduce a refining encoder to refine the latent code and add finer details to the output image. Importantly note that the novelty of this model lies in the design of its first-stage encoder which produces the closest latent code lying on the latent manifold and thus the refinement in the second stage would be close to the NeRF manifold. Through extensive experiments, we demonstrate that our proposed two-stage encoder qualitatively and quantitatively exhibits superiority over the existing encoders for inversion in both image reconstruction and novel-view rendering.  ( 2 min )

Training neural networks means solving a high-dimensional optimization problem. Normally the goal is to minimize a loss function that depends on what is called the network function, or in other words the function that gives the network output given a certain input. This function depends on a large number of parameters, also known as weights, that depends on the network architecture. In general the goal of this optimization problem is to find the global minimum of the network function. In this paper it is discussed how due to how neural networks are designed, the neural network function present a very large symmetry in the parameter space. This work shows how the neural network function has a number of equivalent minima, in other words minima that give the same value for the loss function and the same exact output, that grows factorially with the number of neurons in each layer for feed forward neural network or with the number of filters in a convolutional neural networks. When the number of neurons and layers is large, the number of equivalent minima grows extremely fast. This will have of course consequences for the study of how neural networks converges to minima during training. This results is known, but in this paper for the first time a proper mathematical discussion is presented and an estimate of the number of equivalent minima is derived.  ( 2 min )

In this work we propose a novel token-based training strategy that improves Transformer-Transducer (T-T) based speaker change detection (SCD) performance. The conventional T-T based SCD model loss optimizes all output tokens equally. Due to the sparsity of the speaker changes in the training data, the conventional T-T based SCD model loss leads to sub-optimal detection accuracy. To mitigate this issue, we use a customized edit-distance algorithm to estimate the token-level SCD false accept (FA) and false reject (FR) rates during training and optimize model parameters to minimize a weighted combination of the FA and FR, focusing the model on accurately predicting speaker changes. We also propose a set of evaluation metrics that align better with commercial use cases. Experiments on a group of challenging real-world datasets show that the proposed training method can significantly improve the overall performance of the SCD model with the same number of parameters.

Representation learning for proteins has primarily focused on the global understanding of protein sequences regardless of their length. However, shorter proteins (known as peptides) take on distinct structures and functions compared to their longer counterparts. Unfortunately, there are not as many naturally occurring peptides available to be sequenced and therefore less peptide-specific data to train with. In this paper, we propose a new peptide data augmentation scheme, where we train peptide language models on artificially constructed peptides that are small contiguous subsets of longer, wild-type proteins; we refer to the training peptides as "chopped proteins". We evaluate the representation potential of models trained with chopped proteins versus natural peptides and find that training language models with chopped proteins results in more generalized embeddings for short protein sequences. These peptide-specific models also retain information about the original protein they were derived from better than language models trained on full-length proteins. We compare masked language model training objectives to three novel peptide-specific training objectives: next-peptide prediction, contrastive peptide selection and evolution-weighted MLM. We demonstrate improved zero-shot learning performance for a deep mutational scan peptides benchmark.  ( 2 min )

Human leukocyte antigen (HLA) genes are associated with a variety of diseases, however direct typing of HLA is time and cost consuming. Thus various imputation methods using sequential SNPs data have been proposed based on statistical or deep learning models, e.g. CNN-based model, named DEEP*HLA. However, imputation efficiency is not sufficient for in frequent alleles and a large size of reference panel is required. Here, we developed a Transformer-based model to impute HLA alleles, named "HLA Reliable IMputatioN by Transformer (HLARIMNT)" to take advantage of sequential nature of SNPs data. We validated the performance of HLARIMNT using two different reference panels; Pan-Asian reference panel (n = 530) and Type 1 Diabetes Genetics Consortium (T1DGC) reference panel (n = 5,225), as well as the mixture of those two panels (n = 1,060). HLARIMNT achieved higher accuracy than DEEP*HLA by several indices, especially for infrequent alleles. We also varied the size of data used for training, and HLARIMNT imputed more accurately among any size of training data. These results suggest that Transformer-based model may impute efficiently not only HLA types but also any other gene types from sequential SNPs data.  ( 2 min )

Gradient based learning using error back-propagation (``backprop'') is a well-known contributor to much of the recent progress in AI. A less obvious, but arguably equally important, ingredient is parameter sharing - most well-known in the context of convolutional networks. In this essay we relate parameter sharing (``weight sharing'') to analogy making and the school of thought of cognitive metaphor. We discuss how recurrent and auto-regressive models can be thought of as extending analogy making from static features to dynamic skills and procedures. We also discuss corollaries of this perspective, for example, how it can challenge the currently entrenched dichotomy between connectionist and ``classic'' rule-based views of computation.  ( 2 min )

Epistemic uncertainty quantification is a crucial part of drawing credible conclusions from predictive models, whether concerned about the prediction at a given point or any downstream evaluation that uses the model as input. When the predictive model is simple and its evaluation differentiable, this task is solved by the delta method, where we propagate the asymptotically-normal uncertainty in the predictive model through the evaluation to compute standard errors and Wald confidence intervals. However, this becomes difficult when the model and/or evaluation becomes more complex. Remedies include the bootstrap, but it can be computationally infeasible when training the model even once is costly. In this paper, we propose an alternative, the implicit delta method, which works by infinitesimally regularizing the training loss of the predictive model to automatically assess downstream uncertainty. We show that the change in the evaluation due to regularization is consistent for the asymptotic variance of the evaluation estimator, even when the infinitesimal change is approximated by a finite difference. This provides both a reliable quantification of uncertainty in terms of standard errors as well as permits the construction of calibrated confidence intervals. We discuss connections to other approaches to uncertainty quantification, both Bayesian and frequentist, and demonstrate our approach empirically.  ( 2 min )

A significant portion of the effort involved in advanced process control, process analytics, and machine learning involves acquiring and preparing data. The published literature often emphasizes increasingly complex modeling techniques with incremental performance improvements. However, when industrial case studies are published they often lack important details on data acquisition and preparation. Although data pre-processing is often unfairly maligned as trivial and technically uninteresting, in practice it has an out-sized influence on the success of real-world artificial intelligence applications. This work describes best practices for acquiring and preparing operating data to pursue data-driven modelling and control opportunities in industrial processes. We present practical considerations for pre-processing industrial time series data to inform the efficient development of reliable soft sensors that provide valuable process insights.  ( 2 min )

The prevalence of abusive language on different online platforms has been a major concern that raises the need for automated cross-platform abusive language detection. However, prior works focus on concatenating data from multiple platforms, inherently adopting Empirical Risk Minimization (ERM) method. In this work, we address this challenge from the perspective of domain generalization objective. We design SCL-Fish, a supervised contrastive learning integrated meta-learning algorithm to detect abusive language on unseen platforms. Our experimental analysis shows that SCL-Fish achieves better performance over ERM and the existing state-of-the-art models. We also show that SCL-Fish is data-efficient and achieves comparable performance with the large-scale pre-trained models upon finetuning for the abusive language detection task.

In this paper, we present a novel approach to adapt a sequence-to-sequence Transformer-Transducer ASR system to the keyword spotting (KWS) task. We achieve this by replacing the keyword in the text transcription with a special token and training the system to detect the token in an audio stream. At inference time, we create a decision function inspired by conventional KWS approaches, to make our approach more suitable for the KWS task. Furthermore, we introduce a specific keyword spotting loss by adapting the sequence-discriminative Minimum Bayes-Risk training technique. We find that our approach significantly outperforms ASR based KWS systems. When compared with a conventional keyword spotting system, our proposal has similar performance while bringing the advantages and flexibility of sequence-to-sequence training. Additionally, when combined with the conventional KWS system, our approach can improve the performance at any operation point.  ( 2 min )

Mathematical models have been used to understand the spread patterns of infectious diseases such as Coronavirus Disease 2019 (COVID-19). The transmission component of the models can be modelled in an age-dependent manner via introducing contact matrix for the population, which describes the contact rates between the age groups. Since social contact patterns vary from country to country, we can compare and group the countries using the corresponding contact matrices. In this paper, we present a framework for clustering countries based on their contact matrices with respect to an underlying epidemic model. Since the pipeline is generic and modular, we demonstrate its application in a COVID-19 model from R\"ost et. al. which gives a hint about which countries can be compared in a pandemic situation, when only non-pharmaceutical interventions are available.  ( 2 min )

The empirical risk minimization (ERM) problem with relative entropy regularization (ERM-RER) is investigated under the assumption that the reference measure is a~$\sigma$-finite measure instead of a probability measure. This assumption leads to a generalization of the ERM-RER (g-ERM-RER) problem that allows for a larger degree of flexibility in the incorporation of prior knowledge over the set of models. The solution of the g-ERM-RER problem is shown to be a unique probability measure mutually absolutely continuous with the reference measure and to exhibit a probably-approximately-correct (PAC) guarantee for the ERM problem. For a given dataset, the empirical risk is shown to be a sub-Gaussian random variable when the models are sampled from the solution to the g-ERM-RER problem. Finally, the sensitivity of the expected empirical risk to deviations from the solution of the g-ERM-RER problem is studied. In particular, the expectation of the absolute value of sensitivity is shown to be upper bounded, up to a constant factor, by the square root of the lautum information between the models and the datasets.

We consider estimation models of the form $Y=X^*+N$, where $X^*$ is some $m$-dimensional signal we wish to recover, and $N$ is symmetrically distributed noise that may be unbounded in all but a small $\alpha$ fraction of the entries. We introduce a family of algorithms that under mild assumptions recover the signal $X^*$ in all estimation problems for which there exists a sum-of-squares algorithm that succeeds in recovering the signal $X^*$ when the noise $N$ is Gaussian. This essentially shows that it is enough to design a sum-of-squares algorithm for an estimation problem with Gaussian noise in order to get the algorithm that works with the symmetric noise model. Our framework extends far beyond previous results on symmetric noise models and is even robust to adversarial perturbations. As concrete examples, we investigate two problems for which no efficient algorithms were known to work for heavy-tailed noise: tensor PCA and sparse PCA. For the former, our algorithm recovers the principal component in polynomial time when the signal-to-noise ratio is at least $\tilde{O}(n^{p/4}/\alpha)$, that matches (up to logarithmic factors) current best known algorithmic guarantees for Gaussian noise. For the latter, our algorithm runs in quasipolynomial time and matches the state-of-the-art guarantees for quasipolynomial time algorithms in the case of Gaussian noise. Using a reduction from the planted clique problem, we provide evidence that the quasipolynomial time is likely to be necessary for sparse PCA with symmetric noise. In our proofs we use bounds on the covering numbers of sets of pseudo-expectations, which we obtain by certifying in sum-of-squares upper bounds on the Gaussian complexities of sets of solutions. This approach for bounding the covering numbers of sets of pseudo-expectations may be interesting in its own right and may find other application in future works.  ( 3 min )

Arbitrary conditioning is an important problem in unsupervised learning, where we seek to model the conditional densities $p(\mathbf{x}_u \mid \mathbf{x}_o)$ that underly some data, for all possible non-intersecting subsets $o, u \subset \{1, \dots , d\}$. However, the vast majority of density estimation only focuses on modeling the joint distribution $p(\mathbf{x})$, in which important conditional dependencies between features are opaque. We propose a simple and general framework, coined Posterior Matching, that enables Variational Autoencoders (VAEs) to perform arbitrary conditioning, without modification to the VAE itself. Posterior Matching applies to the numerous existing VAE-based approaches to joint density estimation, thereby circumventing the specialized models required by previous approaches to arbitrary conditioning. We find that Posterior Matching is comparable or superior to current state-of-the-art methods for a variety of tasks with an assortment of VAEs (e.g.~discrete, hierarchical, VaDE).

Estimating treatment effects is one of the most challenging and important tasks of data analysts. Traditional statistical methods aim to estimate average treatment effects over a population. While being highly useful, such average treatment effects do not help to decide which individuals profit most by the treatment. This is where uplift modeling becomes important. Uplift models help to select the right individuals for treatment, to maximize the overall treatment effect (uplift). A challenging problem in uplift modeling is to evaluate the models. Previous literature suggests methods like the Qini curve and the transformed outcome mean squared error. However, these metrics suffer from variance: Their evaluations are strongly affected by random noise in the data, which makes these evaluations to a certain degree arbitrary. Recently, authors suggested the concept of doubly-robust estimation to improve the evaluation of uplift models. However, to justify a change of current state-of-art uplift model evaluation procedures, a comprehensive theoretical analysis as well as empirical evidence is missing. In this paper, we theoretically analyze the variance of uplift evaluation metrics and derive possible methods of variance reduction of which one corresponds to the suggested doubly-robust procedure. We derive simple conditions under which the variance reduction methods improve the uplift evaluation metrics and empirically demonstrate their benefits on simulated data as well as on real-world data. Our paper provides strong evidence to change the current state-of-art uplift evaluation routine on RCT data by using the suggested variance reduction procedures.

Communication efficient distributed mean estimation is an important primitive that arises in many distributed learning and optimization scenarios such as federated learning. Without any probabilistic assumptions on the underlying data, we study the problem of distributed mean estimation where the server has access to side information. We propose \emph{Wyner-Ziv estimators}, which are communication and computationally efficient and near-optimal when an upper bound for the distance between the side information and the data is known. As a corollary, we also show that our algorithms provide efficient schemes for the classic Wyner-Ziv problem in information theory. In a different direction, when there is no knowledge assumed about the distance between side information and the data, we present an alternative Wyner-Ziv estimator that uses correlated sampling. This latter setting offers {\em universal recovery guarantees}, and perhaps will be of interest in practice when the number of users is large and keeping track of the distances between the data and the side information may not be possible. With this mean estimator at our disposal, we revisit basic problems in decentralized optimization and compression where our Wyner-Ziv estimator yields algorithms with almost optimal performance. First, we consider the problem of communication constrained distributed optimization and provide an algorithm which attains the optimal convergence rate by exploiting the fact that the gradient estimates are close to each other. Specifically, the gradient compression scheme in our algorithm first uses half of the parties to form side information and then uses our Wyner-Ziv estimator to compress the remaining half of the gradient estimates.  ( 3 min )

Predicting and anticipating future outcomes or reasoning about missing information in a sequence are critical skills for agents to be able to make intelligent decisions. This requires strong, temporally coherent generative capabilities. Diffusion models have shown remarkable success in several generative tasks, but have not been extensively explored in the video domain. We present Random-Mask Video Diffusion (RaMViD), which extends image diffusion models to videos using 3D convolutions, and introduces a new conditioning technique during training. By varying the mask we condition on, the model is able to perform video prediction, infilling, and upsampling. Due to our simple conditioning scheme, we can utilize the same architecture as used for unconditional training, which allows us to train the model in a conditional and unconditional fashion at the same time. We evaluate RaMViD on two benchmark datasets for video prediction, on which we achieve state-of-the-art results, and one for video generation. High-resolution videos are provided at https://sites.google.com/view/video-diffusion-prediction.  ( 2 min )

We explore the connection between outlier-robust high-dimensional statistics and non-convex optimization in the presence of sparsity constraints, with a focus on the fundamental tasks of robust sparse mean estimation and robust sparse PCA. We develop novel and simple optimization formulations for these problems such that any approximate stationary point of the associated optimization problem yields a near-optimal solution for the underlying robust estimation task. As a corollary, we obtain that any first-order method that efficiently converges to stationarity yields an efficient algorithm for these tasks. The obtained algorithms are simple, practical, and succeed under broader distributional assumptions compared to prior work.  ( 2 min )

We give superpolynomial statistical query (SQ) lower bounds for learning two-hidden-layer ReLU networks with respect to Gaussian inputs in the standard (noise-free) model. No general SQ lower bounds were known for learning ReLU networks of any depth in this setting: previous SQ lower bounds held only for adversarial noise models (agnostic learning) or restricted models such as correlational SQ. Prior work hinted at the impossibility of our result: Vempala and Wilmes showed that general SQ lower bounds cannot apply to any real-valued family of functions that satisfies a simple non-degeneracy condition. To circumvent their result, we refine a lifting procedure due to Daniely and Vardi that reduces Boolean PAC learning problems to Gaussian ones. We show how to extend their technique to other learning models and, in many well-studied cases, obtain a more efficient reduction. As such, we also prove new cryptographic hardness results for PAC learning two-hidden-layer ReLU networks, as well as new lower bounds for learning constant-depth ReLU networks from label queries.  ( 2 min )

Much of the value that IoT (Internet-of-Things) devices bring to ``smart'' homes lies in their ability to automatically trigger other devices' actions: for example, a smart camera triggering a smart lock to unlock a door. Manually setting up these rules for smart devices or applications, however, is time-consuming and inefficient. Rule recommendation systems can automatically suggest rules for users by learning which rules are popular based on those previously deployed (e.g., in others' smart homes). Conventional recommendation formulations require a central server to record the rules used in many users' homes, which compromises their privacy and leaves them vulnerable to attacks on the central server's database of rules. Moreover, these solutions typically leverage generic user-item matrix methods that do not fully exploit the structure of the rule recommendation problem. In this paper, we propose a new rule recommendation system, dubbed as FedRule, to address these challenges. One graph is constructed per user upon the rules s/he is using, and the rule recommendation is formulated as a link prediction task in these graphs. This formulation enables us to design a federated training algorithm that is able to keep users' data private. Extensive experiments corroborate our claims by demonstrating that FedRule has comparable performance as the centralized setting and outperforms conventional solutions.  ( 2 min )

This paper proposes a new algorithm for an automatic variable selection procedure in High Dimensional Graphical Models. The algorithm selects the relevant variables for the node of interest on the basis of mutual information. Several contributions in literature have investigated the use of mutual information in selecting the appropriate number of relevant features in a large data-set, but most of them have focused on binary outcomes or required high computational effort. The algorithm here proposed overcomes these drawbacks as it is an extension of Chow and Liu's algorithm. Once, the probabilistic structure of a High Dimensional Graphical Model is determined via the said algorithm, the best path-step, including variables with the most explanatory/predictive power for a variable of interest, is determined via the computation of the entropy coefficient of determination. The latter, being based on the notion of (symmetric) Kullback-Leibler divergence, turns out to be closely connected to the mutual information of the involved variables. The application of the algorithm to a wide range of real-word and publicly data-sets has highlighted its potential and greater effectiveness compared to alternative extant methods.  ( 2 min )

Many learning tasks in physics and chemistry involve global spatial symmetries as well as permutational symmetry between particles. The standard approach to such problems is equivariant neural networks, which employ tensor products between various tensors that transform under the spatial group. However, as the number of different tensors and the complexity of relationships between them increases, the bookkeeping associated with ensuring parsimony as well as equivariance quickly becomes nontrivial. In this paper, we propose to use fusion diagrams, a technique widely used in simulating SU($2$)-symmetric quantum many-body problems, to design new equivariant components for use in equivariant neural networks. This yields a diagrammatic approach to constructing new neural network architectures. We show that when applied to particles in a given local neighborhood, the resulting components, which we call fusion blocks, are universal approximators of any continuous equivariant function defined on the neighborhood. As a practical demonstration, we incorporate a fusion block into a pre-existing equivariant architecture (Cormorant) and show that it improves performance on benchmark molecular learning tasks.  ( 2 min )

Due to the intractability of characterizing everything that looks unlike the normal data, anomaly detection (AD) is traditionally treated as an unsupervised problem utilizing only normal samples. However, it has recently been found that unsupervised image AD can be drastically improved through the utilization of huge corpora of random images to represent anomalousness; a technique which is known as Outlier Exposure. In this paper we show that specialized AD learning methods seem unnecessary for state-of-the-art performance, and furthermore one can achieve strong performance with just a small collection of Outlier Exposure data, contradicting common assumptions in the field of AD. We find that standard classifiers and semi-supervised one-class methods trained to discern between normal samples and relatively few random natural images are able to outperform the current state of the art on an established AD benchmark with ImageNet. Further experiments reveal that even one well-chosen outlier sample is sufficient to achieve decent performance on this benchmark (79.3% AUC). We investigate this phenomenon and find that one-class methods are more robust to the choice of training outliers, indicating that there are scenarios where these are still more useful than standard classifiers. Additionally, we include experiments that delineate the scenarios where our results hold. Lastly, no training samples are necessary when one uses the representations learned by CLIP, a recent foundation model, which achieves state-of-the-art AD results on CIFAR-10 and ImageNet in a zero-shot setting.  ( 3 min )

Type 1 Diabetes (T1D) is a chronic condition where the body produces little or no insulin, a hormone required for the cells to use blood glucose (BG) for energy and to regulate BG levels in the body. Finding the right insulin dose and time remains a complex, challenging and as yet unsolved control task. In this study, we use the OpenAPS Data Commons dataset, which is an extensive dataset collected in real-life conditions, to discover temporal patterns in insulin need driven by well-known factors such as carbohydrates as well as potentially novel factors. We utilised various time series techniques to spot such patterns using matrix profile and multi-variate clustering. The better we understand T1D and the factors impacting insulin needs, the more we can contribute to building data-driven technology for T1D treatments.  ( 2 min )

Machine learning plays a role in many deployed decision systems, often in ways that are difficult or impossible to understand by human stakeholders. Explaining, in a human-understandable way, the relationship between the input and output of machine learning models is essential to the development of trustworthy machine learning based systems. A burgeoning body of research seeks to define the goals and methods of \emph{explainability} in machine learning. In this paper, we seek to review and categorize research on \emph{counterfactual explanations}, a specific class of explanation that provides a link between what could have happened had input to a model been changed in a particular way. Modern approaches to counterfactual explainability in machine learning draw connections to the established legal doctrine in many countries, making them appealing to fielded systems in high-impact areas such as finance and healthcare. Thus, we design a rubric with desirable properties of counterfactual explanation algorithms and comprehensively evaluate all currently proposed algorithms against that rubric. Our rubric provides easy comparison and comprehension of the advantages and disadvantages of different approaches and serves as an introduction to major research themes in this field. We also identify gaps and discuss promising research directions in the space of counterfactual explainability.  ( 2 min )

Variational Autoencoders (VAEs) have recently been highly successful at imputing and acquiring heterogeneous missing data. However, within this specific application domain, existing VAE methods are restricted by using only one layer of latent variables and strictly Gaussian posterior approximations. To address these limitations, we present HH-VAEM, a Hierarchical VAE model for mixed-type incomplete data that uses Hamiltonian Monte Carlo with automatic hyper-parameter tuning for improved approximate inference. Our experiments show that HH-VAEM outperforms existing baselines in the tasks of missing data imputation and supervised learning with missing features. Finally, we also present a sampling-based approach for efficiently computing the information gain when missing features are to be acquired with HH-VAEM. Our experiments show that this sampling-based approach is superior to alternatives based on Gaussian approximations.  ( 2 min )

Statistical analysis of tensor-valued data has largely used the tensor-variate normal (TVN) distribution that may be inadequate when data comes from distributions with heavier or lighter tails. We study a general family of elliptically contoured (EC) tensor-variate distributions and derive its characterizations, moments, marginal and conditional distributions, and the EC Wishart distribution. We describe procedures for maximum likelihood estimation from data that are (1) uncorrelated draws from an EC distribution, (2) from a scale mixture of the TVN distribution, and (3) from an underlying but unknown EC distribution, where we extend Tyler's robust estimator. A detailed simulation study highlights the benefits of choosing an EC distribution over the TVN for heavier-tailed data. We develop tensor-variate classification rules using discriminant analysis and EC errors and show that they better predict cats and dogs from images in the Animal Faces-HQ dataset than the TVN-based rules. A novel tensor-on-tensor regression and tensor-variate analysis of variance (TANOVA) framework under EC errors is also demonstrated to better characterize gender, age and ethnic origin than the usual TVN-based TANOVA in the celebrated Labeled Faces of the Wild dataset.  ( 2 min )

X-risk is a term introduced to represent a family of compositional measures or objectives, in which each data point is compared with a large number of items explicitly or implicitly for defining a risk function. It includes many widely used measures or objectives, e.g., AUROC, AUPRC, partial AUROC, NDCG, MAP, top-$K$ NDCG, top-$K$ MAP, listwise losses, p-norm push, top push, precision/recall at top $K$ positions, precision at a certain recall level, contrastive objectives, etc. While these non-decomposable measures/objectives and their optimization algorithms have been studied in the literature of machine learning, computer vision, information retrieval, and etc, optimizing these measures/objectives has encountered some unique challenges for deep learning. In this paper, we survey recent rigorous efforts for deep X-risk optimization (DXO) by focusing on its algorithmic foundation. We introduce a class of techniques for optimizing X-risks for deep learning. We formulate DXO into three special families of non-convex optimization problems belonging to non-convex min-max optimization, non-convex compositional optimization, and non-convex bilevel optimization, respectively. For each family of problems, we present some strong baseline algorithms and their complexities, which will motivate further research for improving the existing results. Discussions about the presented results and future studies are given at the end. Efficient algorithms for optimizing a variety of X-risks are implemented in the LibAUC library at www.libauc.org.  ( 2 min )

Diffusion models have been recently studied as powerful generative inverse problem solvers, owing to their high quality reconstructions and the ease of combining existing iterative solvers. However, most works focus on solving simple linear inverse problems in noiseless settings, which significantly under-represents the complexity of real-world problems. In this work, we extend diffusion solvers to efficiently handle general noisy (non)linear inverse problems via approximation of the posterior sampling. Interestingly, the resulting posterior sampling scheme is a blended version of diffusion sampling with the manifold constrained gradient without a strict measurement consistency projection step, yielding a more desirable generative path in noisy settings compared to the previous studies. Our method demonstrates that diffusion models can incorporate various measurement noise statistics such as Gaussian and Poisson, and also efficiently handle noisy nonlinear inverse problems such as Fourier phase retrieval and non-uniform deblurring.  ( 2 min )

This paper introduces RISE, a robust individualized decision learning framework with sensitive variables, where sensitive variables are collectible data and important to the intervention decision, but their inclusion in decision making is prohibited due to reasons such as delayed availability or fairness concerns. A naive baseline is to ignore these sensitive variables in learning decision rules, leading to significant uncertainty and bias. To address this, we propose a decision learning framework to incorporate sensitive variables during offline training but not include them in the input of the learned decision rule during model deployment. Specifically, from a causal perspective, the proposed framework intends to improve the worst-case outcomes of individuals caused by sensitive variables that are unavailable at the time of decision. Unlike most existing literature that uses mean-optimal objectives, we propose a robust learning framework by finding a newly defined quantile- or infimum-optimal decision rule. The reliable performance of the proposed method is demonstrated through synthetic experiments and three real-world applications.  ( 2 min )

Forecasts of regional electricity net-demand, consumption minus embedded generation, are an essential input for reliable and economic power system operation, and energy trading. While such forecasts are typically performed region by region, operations such as managing power flows require spatially coherent joint forecasts, which account for cross-regional dependencies. Here we forecast the joint distribution of net-demand across the 14 regions constituting Great Britain's electricity network. Joint modelling is complicated by the fact that the net-demand variability within each region, and the dependencies between regions, vary with temporal, socio-economical and weather-related factors. We accommodate for these characteristics by proposing a multivariate Gaussian model based on a modified Cholesky parametrisation, which allows us to model each unconstrained parameter via an additive model. Given that the number of model parameters and covariates is large, we adopt a semi-automated approach to model selection, based on gradient boosting. In addition to demonstrating that adopting a covariate-dependent covariance matrix model leads to substantial forecasting performance improvements, comparable to those obtained by using a full rather than a diagonal static covariance matrix, we explore the model output via accumulated local effects and other visual tools to get insights into how the covariates affect net-demand variability and dependencies. The code for reproducing the results in this paper is available at https://doi.org/10.5281/zenodo.7315106  ( 2 min )

Consider the problem of simultaneous estimation and support recovery of the coefficient vector in a linear data model with additive Gaussian noise. We study the problem of estimating the model coefficients based on a recently proposed non-convex regularizer, namely the stochastic gates (STG) [Yamada et al. 2020]. We suggest a new projection-based algorithm for solving the STG regularized minimization problem, and prove convergence and support recovery guarantees of the STG-estimator for a range of random and non-random design matrix setups. Our new algorithm has been shown to outperform the existing STG algorithm and other classical estimators for support recovery in various real and synthetic data analyses.  ( 2 min )

The ROC curve is the major tool for assessing not only the performance but also the fairness properties of a similarity scoring function in Face Recognition. In order to draw reliable conclusions based on empirical ROC analysis, evaluating accurately the uncertainty related to statistical versions of the ROC curves of interest is necessary. For this purpose, we explain in this paper that, because the True/False Acceptance Rates are of the form of U-statistics in the case of similarity scoring, the naive bootstrap approach is not valid here and that a dedicated recentering technique must be used instead. This is illustrated on real data of face images, when applied to several ROC-based metrics such as popular fairness metrics.  ( 2 min )

The availability of large pre-trained models is changing the landscape of Machine Learning research and practice, moving from a training-from-scratch to a fine-tuning paradigm. While in some applications the goal is to "nudge" the pre-trained distribution towards preferred outputs, in others it is to steer it towards a different distribution over the sample space. Two main paradigms have emerged to tackle this challenge: Reward Maximization (RM) and, more recently, Distribution Matching (DM). RM applies standard Reinforcement Learning (RL) techniques, such as Policy Gradients, to gradually increase the reward signal. DM prescribes to first make explicit the target distribution that the model is fine-tuned to approximate. Here we explore the theoretical connections between the two paradigms, and show that methods such as KL-control developed for RM can also be construed as belonging to DM. We further observe that while DM differs from RM, it can suffer from similar training difficulties, such as high gradient variance. We leverage connections between the two paradigms to import the concept of baseline into DM methods. We empirically validate the benefits of adding a baseline on an array of controllable language generation tasks such as constraining topic, sentiment, and gender distributions in texts sampled from a language model. We observe superior performance in terms of constraint satisfaction, stability and sample efficiency.  ( 2 min )

In applications involving sensitive data, such as finance and healthcare, the necessity for preserving data privacy can be a significant barrier to machine learning model development. Differential privacy (DP) has emerged as one canonical standard for provable privacy. However, DP's strong theoretical guarantees often come at the cost of a large drop in its utility for machine learning, and DP guarantees themselves can be difficult to interpret. In this work, we propose a novel privacy notion, membership inference privacy (MIP), to address these challenges. We give a precise characterization of the relationship between MIP and DP, and show that MIP can be achieved using less amount of randomness compared to the amount required for guaranteeing DP, leading to a smaller drop in utility. MIP guarantees are also easily interpretable in terms of the success rate of membership inference attacks. Our theoretical results also give rise to a simple algorithm for guaranteeing MIP which can be used as a wrapper around any algorithm with a continuous output, including parametric model training.  ( 2 min )

Being able to reliably assess not only the \emph{accuracy} but also the \emph{uncertainty} of models' predictions is an important endeavour in modern machine learning. Even if the model generating the data and labels is known, computing the intrinsic uncertainty after learning the model from a limited number of samples amounts to sampling the corresponding posterior probability measure. Such sampling is computationally challenging in high-dimensional problems and theoretical results on heuristic uncertainty estimators in high-dimensions are thus scarce. In this manuscript, we characterise uncertainty for learning from limited number of samples of high-dimensional Gaussian input data and labels generated by the probit model. In this setting, the Bayesian uncertainty (i.e. the posterior marginals) can be asymptotically obtained by the approximate message passing algorithm, bypassing the canonical but costly Monte Carlo sampling of the posterior. We then provide a closed-form formula for the joint statistics between the logistic classifier, the uncertainty of the statistically optimal Bayesian classifier and the ground-truth probit uncertainty. The formula allows us to investigate calibration of the logistic classifier learning from limited amount of samples. We discuss how over-confidence can be mitigated by appropriately regularising.  ( 2 min )

The Expectation--Maximization (EM) algorithm is a simple meta-algorithm that has been used for many years as a methodology for statistical inference when there are missing measurements in the observed data or when the data is composed of observables and unobservables. Its general properties are well studied, and also, there are countless ways to apply it to individual problems. In this paper, we introduce the $em$ algorithm, an information geometric formulation of the EM algorithm, and its extensions and applications to various problems. Specifically, we will see that it is possible to formulate an outlier-robust inference algorithm, an algorithm for calculating channel capacity, parameter estimation methods on probability simplex, particular multivariate analysis methods such as principal component analysis in a space of probability models and modal regression, matrix factorization, and learning generative models, which have recently attracted attention in deep learning, from the geometric perspective.  ( 2 min )

We present a generalized balancing weight method fully available for estimating causal effects for an arbitrary mixture of discrete and continuous interventions. Our weights are trainable through back-propagation, and we give a method for estimating the weights via neural network algorithms. In addition, we also provide a method to measure the performance of our weights by estimating the mutual information for the balanced distribution. Our method is easy to implement with any present deep learning libraries, and the weights from it can be used in most state-of-art supervised algorithms.  ( 2 min )

The variational lower bound (a.k.a. ELBO or free energy) is the central objective for many established as well as many novel algorithms for unsupervised learning. Learning algorithms change model parameters such that the variational lower bound increases. Learning usually proceeds until parameters have converged to values close to a stationary point of the learning dynamics. In this purely theoretical contribution, we show that (for a very large class of generative models) the variational lower bound is at all stationary points of learning equal to a sum of entropies. For standard machine learning models with one set of latents and one set observed variables, the sum consists of three entropies: (A) the (average) entropy of the variational distributions, (B) the negative entropy of the model's prior distribution, and (C) the (expected) negative entropy of the observable distributions. The obtained result applies under realistic conditions including: finite numbers of data points, at any stationary points (including saddle points) and for any family of (well behaved) variational distributions. The class of generative models for which we show the equality to entropy sums contains many well-known generative models. As concrete examples we discuss Sigmoid Belief Networks, probabilistic PCA and (Gaussian and non-Gaussian) mixture models. The prerequisites we use to show equality to entropy sums are relatively mild. Concretely, the distributions of a given generative model have to be of the exponential family (with constant base measure), and the model has to satisfy a parameterization criterion (which is usually fulfilled). Proving the equality of the ELBO to entropy sums at stationary points (under the stated conditions) is the main contribution of this work.  ( 3 min )

Discovering interaction effects on a response of interest is a fundamental problem faced in biology, medicine, economics, and many other scientific disciplines. In theory, Bayesian methods for discovering pairwise interactions enjoy many benefits such as coherent uncertainty quantification, the ability to incorporate background knowledge, and desirable shrinkage properties. In practice, however, Bayesian methods are often computationally intractable for even moderate-dimensional problems. Our key insight is that many hierarchical models of practical interest admit a particular Gaussian process (GP) representation; the GP allows us to capture the posterior with a vector of O(p) kernel hyper-parameters rather than O(p^2) interactions and main effects. With the implicit representation, we can run Markov chain Monte Carlo (MCMC) over model hyper-parameters in time and memory linear in p per iteration. We focus on sparsity-inducing models and show on datasets with a variety of covariate behaviors that our method: (1) reduces runtime by orders of magnitude over naive applications of MCMC, (2) provides lower Type I and Type II error relative to state-of-the-art LASSO-based approaches, and (3) offers improved computational scaling in high dimensions relative to existing Bayesian and LASSO-based approaches.  ( 2 min )

Controlled Markov chains (CMCs) have wide applications in engineering and machine learning, forming a key component in many reinforcement learning problems. In this work, we consider the estimation of the transition probabilities of a finite-state finite-control CMC, and develop a minimax sample complexity bounds for nonparametric estimation of these transition probability matrices. Unlike most studies that have been done in the online setup, we consider offline MDPs. Our results are quite general, since we do not assume anything specific about the logging policy. Instead, the dependence of our statistical bounds on the logging policy comes in the form of a natural mixing coefficient. We demonstrate an interesting trade-off between stronger assumptions on mixing versus requiring more samples to achieve a particular PAC-bound. We demonstrate the validity of our results under various examples, like ergodic Markov chains, weakly ergodic inhomogenous Markov chains, and controlled Markov chains with non-stationary Markov, episodic, and greedy controls. Lastly, we use the properties of the estimated transition matrix to perform estimate the value function when the controls are stationary and Markov.  ( 2 min )

Stochastic bilevel optimization, which captures the inherent nested structure of machine learning problems, is gaining popularity in many recent applications. Existing works on bilevel optimization mostly consider either unconstrained problems or constrained upper-level problems. This paper considers the stochastic bilevel optimization problems with equality constraints both in the upper and lower levels. By leveraging the special structure of the equality constraints problem, the paper first presents an alternating implicit projected SGD approach and establishes the $\tilde{\cal O}(\epsilon^{-2})$ sample complexity that matches the state-of-the-art complexity of ALSET \citep{chen2021closing} for unconstrained bilevel problems. To further save the cost of projection, the paper presents two alternating implicit projection-efficient SGD approaches, where one algorithm enjoys the $\tilde{\cal O}(\epsilon^{-2}/T)$ upper-level and ${\cal O}(\epsilon^{-1.5}/T^{\frac{3}{4}})$ lower-level projection complexity with ${\cal O}(T)$ lower-level batch size, and the other one enjoys $\tilde{\cal O}(\epsilon^{-1.5})$ upper-level and lower-level projection complexity with ${\cal O}(1)$ batch size. Application to federated bilevel optimization has been presented to showcase the empirical performance of our algorithms. Our results demonstrate that equality-constrained bilevel optimization with strongly-convex lower-level problems can be solved as efficiently as stochastic single-level optimization problems.  ( 2 min )

Conditional Independence (CI) graphs are a type of probabilistic graphical models that are primarily used to gain insights about feature relationships. Each edge represents the partial correlation between the connected features which gives information about their direct dependence. In this survey, we list out different methods and study the advances in techniques developed to recover CI graphs. We cover traditional optimization methods as well as recently developed deep learning architectures along with their recommended implementations. To facilitate wider adoption, we include preliminaries that consolidate associated operations, for example techniques to obtain covariance matrix for mixed datatypes.  ( 2 min )

We investigate the Multi-Armed Bandit problem with Temporally-Partitioned Rewards (TP-MAB) setting in this paper. In the TP-MAB setting, an agent will receive subsets of the reward over multiple rounds rather than the entire reward for the arm all at once. In this paper, we introduce a general formulation of how an arm's cumulative reward is distributed across several rounds, called Beta-spread property. Such a generalization is needed to be able to handle partitioned rewards in which the maximum reward per round is not distributed uniformly across rounds. We derive a lower bound on the TP-MAB problem under the assumption that Beta-spread holds. Moreover, we provide an algorithm TP-UCB-FR-G, which uses the Beta-spread property to improve the regret upper bound in some scenarios. By generalizing how the cumulative reward is distributed, this setting is applicable in a broader range of applications.  ( 2 min )

We introduce new differentially private (DP) mechanisms for gradient-based machine learning (ML) training involving multiple passes (epochs) of a dataset, substantially improving the achievable privacy-utility-computation tradeoffs. Our key contribution is an extension of the online matrix factorization DP mechanism to multiple participations, substantially generalizing the approach of DMRST2022. We first give conditions under which it is possible to reduce the problem with per-iteration vector contributions to the simpler one of scalar contributions. Using this, we formulate the construction of optimal (in total squared error at each iterate) matrix mechanisms for SGD variants as a convex program. We propose an efficient optimization algorithm via a closed form solution to the dual function. While tractable, both solving the convex problem offline and computing the necessary noise masks during training can become prohibitively expensive when many training steps are necessary. To address this, we design a Fourier-transform-based mechanism with significantly less computation and only a minor utility decrease. Extensive empirical evaluation on two tasks: example-level DP for image classification and user-level DP for language modeling, demonstrate substantial improvements over the previous state-of-the-art. Though our primary application is to ML, we note our main DP results are applicable to arbitrary linear queries and hence may have much broader applicability.  ( 2 min )

Most graph neural networks (GNNs) use the message passing paradigm, in which node features are propagated on the input graph. Recent works pointed to the distortion of information flowing from distant nodes as a factor limiting the efficiency of message passing for tasks relying on long-distance interactions. This phenomenon, referred to as 'over-squashing', has been heuristically attributed to graph bottlenecks where the number of $k$-hop neighbors grows rapidly with $k$. We provide a precise description of the over-squashing phenomenon in GNNs and analyze how it arises from bottlenecks in the graph. For this purpose, we introduce a new edge-based combinatorial curvature and prove that negatively curved edges are responsible for the over-squashing issue. We also propose and experimentally test a curvature-based graph rewiring method to alleviate the over-squashing.  ( 2 min )

This work addresses a version of the two-armed Bernoulli bandit problem where the sum of the means of the arms is one (the symmetric two-armed Bernoulli bandit). In a regime where the gap between these means goes to zero and the number of prediction periods approaches infinity, we obtain the leading order terms of the minmax optimal regret and pseudoregret for this problem by associating each of them with a solution of a linear parabolic partial differential equation. Our results improve upon the previously known results; specifically, we explicitly compute these leading order terms in three different scaling regimes for the gap. Additionally, we obtain new non-asymptotic bounds for any given time horizon.  ( 2 min )

The field of deep-learning-based ECG analysis has been largely dominated by convolutional architectures. This work explores the prospects of applying the recently introduced structured state space models (SSMs) as a particularly promising approach due to its ability to capture long-term dependencies in time series. We demonstrate that this approach leads to significant improvements over the current state-of-the-art for ECG classification, which we trace back to individual pathologies. Furthermore, the model's ability to capture long-term dependencies allows to shed light on long-standing questions in the literature such as the optimal sampling rate or window size to train classification models. Interestingly, we find no evidence for using data sampled at 500Hz as opposed to 100Hz and no advantages from extending the model's input size beyond 3s. Based on this very promising first assessment, SSMs could develop into a new modeling paradigm for ECG analysis.  ( 2 min )

We consider contextual bandits with knapsacks (CBwK), a variant of the contextual bandit which places global constraints on budget consumption. We present a new algorithm that is simple, statistically optimal, and computationally efficient. Our algorithm combines LagrangeBwK (Immorlica et al., FOCS'19), a Lagrangian-based technique for CBwK, and SquareCB (Foster and Rakhlin, ICML'20), a regression-based technique for contextual bandits. Our analysis emphasizes the modularity of both techniques.  ( 2 min )

Graph Neural Network (GNN) with its ability to integrate graph information has been widely used for data analyses. However, the expressive power of GNN has only been studied for graph-level tasks but not for node-level tasks, such as node classification, where one tries to interpolate missing nodal labels from the observed ones. In this paper, we study the expressive power of GNN for the said classification task, which is in essence a function interpolation problem. Explicitly, we derive the number of weights and layers needed for a GNN to interpolate a band-limited function in $\mathbb{R}^d$. Our result shows that, the number of weights needed to $\epsilon$-approximate a bandlimited function using the GNN architecture is much fewer than the best known one using a fully connected neural network (NN) - in particular, one only needs $O((\log \epsilon^{-1})^{d})$ weights using a GNN trained by $O((\log \epsilon^{-1})^{d})$ samples to $\epsilon$-approximate a discretized bandlimited signal in $\mathbb{R}^d$. The result is obtained by drawing a connection between the GNN structure and the classical sampling theorems, making our work the first attempt in this direction.  ( 2 min )

We propose strategies to estimate and make inference on key features of heterogeneous effects in randomized experiments. These key features include best linear predictors of the effects using machine learning proxies, average effects sorted by impact groups, and average characteristics of most and least impacted units. The approach is valid in high dimensional settings, where the effects are proxied (but not necessarily consistently estimated) by predictive and causal machine learning methods. We post-process these proxies into estimates of the key features. Our approach is generic, it can be used in conjunction with penalized methods, neural networks, random forests, boosted trees, and ensemble methods, both predictive and causal. Estimation and inference are based on repeated data splitting to avoid overfitting and achieve validity. We use quantile aggregation of the results across many potential splits, in particular taking medians of p-values and medians and other quantiles of confidence intervals. We show that quantile aggregation lowers estimation risks over a single split procedure, and establish its principal inferential properties. Finally, our analysis reveals ways to build provably better machine learning proxies through causal learning: we can use the objective functions that we develop to construct the best linear predictors of the effects, to obtain better machine learning proxies in the initial step. We illustrate the use of both inferential tools and causal learners with a randomized field experiment that evaluates a combination of nudges to stimulate demand for immunization in India.  ( 3 min )

Meta-Learning aims to accelerate the learning on new tasks by acquiring useful inductive biases from related data sources. In practice, the number of tasks available for meta-learning is often small. Yet, most of the existing approaches rely on an abundance of meta-training tasks, making them prone to overfitting. How to regularize the meta-learner to ensure generalization to unseen tasks, is a central question in the literature. We provide a theoretical analysis using the PAC-Bayesian framework and derive the first bound for meta-learners with unbounded loss functions. Crucially, our bounds allow us to derive the PAC-optimal hyper-posterior (PACOH) - the closed-form-solution of the PAC-Bayesian meta-learning problem, thereby avoiding the reliance on nested optimization, giving rise to an optimization problem amenable to standard variational methods that scale well. Our experiments show that, when instantiating the PACOH with Gaussian processes and Bayesian Neural Networks as base learners, the resulting methods are more scalable, and yield state-of-the-art performance, both in terms of predictive accuracy and the quality of uncertainty estimates. Finally, thanks to the principled treatment of uncertainty, our meta-learners can also be successfully employed for sequential decision problems.  ( 2 min )

We investigate the spectral properties of linear-width feed-forward neural networks, where the sample size is asymptotically proportional to network width. Empirically, we show that the weight spectra in this high dimensional regime are invariant when trained by gradient descent for small constant learning rates and the changes in both operator and Frobenius norm are $\Theta(1)$ in the limit. This implies the bulk spectra for both the conjugate and neural tangent kernels are also invariant. We demonstrate similar characteristics for models trained with mini-batch (stochastic) gradient descent with small learning rates and provide a theoretical justification for this special scenario. When the learning rate is large, we show empirically that an outlier emerges with its corresponding eigenvector aligned to the training data structure. We also show that after adaptive gradient training, where we have a lower test error and feature learning emerges, both the weight and kernel matrices exhibit heavy tail behavior. Different spectral properties such as invariant bulk, spike, and heavy-tailed distribution correlate to how far the kernels deviate from initialization. To understand this phenomenon better, we focus on a toy model, a two-layer network on synthetic data, which exhibits different spectral properties for different training strategies. Analogous phenomena also appear when we train conventional neural networks with real-world data. Our results show that monitoring the evolution of the spectra during training is an important step toward understanding the training dynamics and feature learning.  ( 2 min )

Epistemic uncertainty quantification is a crucial part of drawing credible conclusions from predictive models, whether concerned about the prediction at a given point or any downstream evaluation that uses the model as input. When the predictive model is simple and its evaluation differentiable, this task is solved by the delta method, where we propagate the asymptotically-normal uncertainty in the predictive model through the evaluation to compute standard errors and Wald confidence intervals. However, this becomes difficult when the model and/or evaluation becomes more complex. Remedies include the bootstrap, but it can be computationally infeasible when training the model even once is costly. In this paper, we propose an alternative, the implicit delta method, which works by infinitesimally regularizing the training loss of the predictive model to automatically assess downstream uncertainty. We show that the change in the evaluation due to regularization is consistent for the asymptotic variance of the evaluation estimator, even when the infinitesimal change is approximated by a finite difference. This provides both a reliable quantification of uncertainty in terms of standard errors as well as permits the construction of calibrated confidence intervals. We discuss connections to other approaches to uncertainty quantification, both Bayesian and frequentist, and demonstrate our approach empirically.  ( 2 min )

Hello, new to reinforcement learning in general. When would one use traditional rl over deep rl? I assume when you want less computationally heavy algorithms, it make sense, but are there any other scenarios? is deep RL sota on most tasks? submitted by /u/Sudonymously [link] [comments]  ( 71 min )

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Enterprises increasingly deploy machine learning models to analyze corporate data that informs vital business issues. The post The Business Analysis Benefits and Limitation Of AI and Synthetic Data appeared first on Data Science Central.  ( 18 min )

A Ranked Choice Voting system takes a different approach. In a Ranked Choice, candidates from any party (or no party) can stand for election. Voters rank their preferences, and the top three candidates then go onto a second election, where the top vote receiver wins the election. A referendum passed in this latest election cycle makes Nevada a Ranked Choice state, joining Alaska and Maine. Significantly, these states all have had a history of independent candidates. The post DSC Weekly 15 Nov 2022 – The Dynamics of Ranked Voting appeared first on Data Science Central.  ( 22 min )

Kafka started as open-source software installed on a server. Complex and highly-configurable, early Kafka adopters learned first-hand how difficult, time-consuming and expensive managing Kafka clusters could be. Those staying with on-premises Kafka are adopting solutions such as data observability platforms to empower them with automated visibility and control over their environments. The post The 5 Reasons to Use Data Observability to Reduce Confluent Cloud Kafka Costs appeared first on Data Science Central.  ( 22 min )

I recently participated in a regional workshop of government, education, business, and social leaders where we were trying to ascertain and assess 1) the certainty of national trends and 2) the impact of those trends on the region.  The post AI and Data Literacy: A National Mandate appeared first on Data Science Central.  ( 22 min )

With the layoffs at Meta this week, it's time to review metaverse strategies. Meta was increasingly bullish about the timelines, as were many analysts. But where do we stand now? The post Metaverse 2.0: What could the long-term vision for the metaverse look like? appeared first on Data Science Central.  ( 19 min )

There have been lots of buzz in companies around HR technology trends and the future of human resources. Covid has propelled digital transformation four years into the future, and the entire relationship between employer and employee has changed. Through this technology drives communication and collaboration. It allows us to share ideas and access extensive information effortlessly at once.  The post HR Technology Trends for 2023 and Beyond appeared first on Data Science Central.  ( 21 min )

Having tabular data can make it challenging to comprehend your data when working with it genuinely. Visualizing data or representing it in a pictorial form will enable us to understand better what the information means and how to clean and use it. Tables and CSV files can't reveal patterns, correlations, or trends, but graphs can. The post Introduction to Data Visualization in Python appeared first on Data Science Central.  ( 22 min )

There’s a change foot in the media and entertainment industry, and we have artificial intelligence (AI) to thank for it. The global industry is utilizing the power of AI to make visual content more interactive and exciting. It helps to serve the audience to personalize content reach while enhancing the viewing experience that is more interesting and entertaining. The post Media and Entertainment Sector: Applications of Artificial Intelligence appeared first on Data Science Central.  ( 20 min )

Firstly I apologise for any mistakes i make in this post, as I am very new to this sort of stuff. The problem is as follows: I have a 2 player board game, and I want to train an AI to play it. Researching other's attempts, standard Q learning seems to not work, due to huge number of possible board states and the Q table size growing very quickly. So, I instead want to use Deep Q. However, I am having trouble understanding how to make the AI learn against itelf and how to actually update the weights of the network. The game I am making does have a clear winner loser at the end, but during gameplay it is quite hard to give a reward/punishment. My question is, how would I go about making something like this? The game is called YINSH and i am working in Python, and already have all the basic game logic working. (link to rules). TLDR othello and connect 4 merged. Any help is greatly appreciated. submitted by /u/4nton2005 [link] [comments]  ( 72 min )

Hello, I was wondering, when you deploy a RL agent in production, what are the most common failure events in the RL policy that you observe ? In other words, when the deployment goes wrong, how do you notice something went wrong ? Thanks! submitted by /u/ArmandDerech [link] [comments]  ( 72 min )

submitted by /u/gwern [link] [comments]  ( 68 min )

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So long time ago OpenAI dota bot used LSTM policy to create more complex actions for a bot, for example to select next relative click x and y offsets, essentially they used LSTM from last hidden state to predict autoregressively x and then y (for example) making compound action essentially. The question is - is there any other side of a coin to using this strategy? Like decrease in learning speed, variance in gradient, etc? submitted by /u/basic_r_user [link] [comments]  ( 69 min )

Hi! I am working on a class project and thinking about how words can impact the social imaginaries attributed to politicized communities. To develop the project based on that thought, I was thinking of putting an endless stream of AI-generated images that respond to live tweets using keywords. Is this doable? I found this website (https://art42.net/) showcasing an endless stream of cubist art pieces and was wondering if there's any way to recreate it so that it responds to tweets using any "x" word or hashtags. (it would be great if it could respond to tweets from specific accounts-but that might be asking for too much lol). Thanks in advance :)! submitted by /u/Candid-Bed3386 [link] [comments]  ( 45 min )

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Deployment is the most essential part of the machine learning project. But often the models are too heavy to provide satisfactory performance in a CPU environment. But GPU instances are expensive and not so feasible for small organizations. Hence in this blog, I have presented a way to speed up the model by 6-10x on multicore processors. Link: https://medium.com/geekculture/achieve-gpu-grade-performance-on-cpus-with-sparseml-c75879ef0771 submitted by /u/VikasOjha666 [link] [comments]  ( 57 min )

Based on: Quality of image General availability Capacity to run in a "normal" computer Speed, etc submitted by /u/ijwji [link] [comments]  ( 46 min )

A commonly-cited statistic is that you need at least 10,000 examples per class for a classification problem. However, you don't always have lots of data to train your machine learning algorithm. Which classical machine learning methods work well with little data? I'm thinking of things like KNN, linear regression, support vector machines, random forests etc. Is there a paper that systematically investigates machine learning methods when data are sparse? If not, are there some rules of thumb one can follow? submitted by /u/invzbl3 [link] [comments]  ( 49 min )

Hi guys, I'm pretty new here and I'd like to tell you about our open-source project. My team and I are interested in the multitude of AI APIs that have emerged on the market in recent years from large cloud providers (Google, Microsoft, Amazon, etc.) but also from AI specialists (OpenAI, DeepL, Assembly AI, etc.) and that allow us to handle specific tasks: image recognition, translation, audio transcription, document parsing, etc. We develop an API to rule them all: we standardize competing APIs into a single one so that developers can change providers whenever they want, use several APIs at the same time if needed, combine engines from different providers, etc. To be transparent about this standardization, we decided to launch an Open Source version where we display the connectors we created to allow any AI service provider to add its own connector or to allow anyone to use our standardization for free: https://github.com/edenai/edenai-apis/ For those who are interested in these topics, I would love to have your opinion on our project and how to nourish it (please note that at the moment, only members of my team are working on it). As I said at the beginning, it's new for us :) Thanks in advance, Taha PS: If you can star the repo that would be great and would help us a lot! submitted by /u/Effective-Divide-828 [link] [comments]  ( 48 min )

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I need this information for a school research project about ai submitted by /u/Starrynighperson [link] [comments]  ( 46 min )

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I was listening to a podcast where they talked about the possibility of utilizing large language model interfaces to optimize learning, the example they gave was, if you want AI to reserve a booking, it would take ages for it to learn this in traditional way, but supplemented by an LLM, it can understand what the words mean and in what context they are utilized so it optimizes its learning. That made me wonder, is all current AI learning fundamentally based on trial-and-error approach and only guided by limits set from the outside as it were? submitted by /u/Jyssyj [link] [comments]  ( 49 min )

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Many classification and regression challenges in business have been effectively solved using artificial neural networks. Even Nevertheless, for issues involving pattern categorization, backpropagation neural networks typically forecast more accurately than decision trees. The predictions of neural networks are not as easily interpreted as those of decision trees since they are frequently viewed as "black boxes." It is desirable to extract knowledge from trained neural networks in numerous applications so that the users can comprehend the solution better. This article will help to understand the process of extracting rules using a neural network. ​ https://machinehack.com/story/rule-extraction-using-neural-network submitted by /u/analyticsindiam [link] [comments]  ( 53 min )

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We go to school as kids and work on various puzzles to help develop our brains. Artificial Intelligence will help you solve the most complex problems efficiently, which will ease your job and help you save valuable time. All repetitive tasks can be done using Artificial Intelligence, easing humans’ efforts. Artificial intelligence also poses a problem for mental health. People will socialize less and could even start having trouble socializing due to AI and its widespread acceptance in our society. submitted by /u/Krishnavani01 [link] [comments]  ( 51 min )

https://onceuponabot.com/story/033f609e-a731-4632-8881-25799bdfc026 Ignore chapter 4, this A.I. repeats itself sometimes. submitted by /u/Inferno_xz9 [link] [comments]  ( 44 min )

MIT CSAIL researchers solve a differential equation behind the interaction of two neurons through synapses to unlock a new type of speedy and efficient AI algorithm.  ( 9 min )

Hi all, We are the Stability AI team supporting open source ML models, code and communities. Ask away! Edit 1 (UTC+0 21:30): Thanks for the great questions! Taking a short break, will come back later and answer as we have time. Edit 2 (UTC+0 22:24): Closing new questions, still answering some existing Q's posted before now. submitted by /u/stabilityai [link] [comments]  ( 84 min )

Since the due of the iclr discussion period is approaching and none of the reviewers replied to our responses (submitted on 11/11 morning), I'm curious if I should remind them. Am I being too nervous? How long it takes for reviewers to respond? ​ +)Plus, one of the reviewers said he/she is willing to update the score depending on the discussion. If he/she said so, is there a high chance for the update of score before discussion period? submitted by /u/Sufficient_Flight876 [link] [comments]  ( 66 min )

Do you have any tips for writing models cards or datasheets? There are a lot of templates out there but I'm wondering if you've learned any useful strategies that aren't included in the templates. submitted by /u/jrgallag [link] [comments]  ( 54 min )

How much does it matter what settings (iso, f, exposure time) are used in datasets? Of course there are some specific cases, like imaging in dark conditions where the iso obviously needs to be large and the noise has to be handled. But in more general case, it seems like many datasets are acquired with auto settings. The quality assesment seems to be on the sharpness and relevancy. Is there any papers on the topic of how camera settings and lightning solutions affect the dataset quality or usability? submitted by /u/ToTa_12 [link] [comments]  ( 62 min )

MinD-Vis: Another paper about decoding images from brain data with AI. The BCI-->AI-Pipeline seems to be getting faster after a paper from MetaAI, a preprint on bioxiv about the Semantic reconstruction of continuous language from non-invasive brain recordings and a GAN that reproduces faces seen by a monkey. ​ https://preview.redd.it/fuctf8ctr20a1.png?width=1784&format=png&auto=webp&s=c71315d5c54485c9a2719739338c175d9b6fa27b Results in this paper are only somewhat accurate as of now, but given the speed of improvements this year, this can go very fast. Time to get serious about the impact of BCI/AI on Neuroprivacy, not to speak of the psychological effects of technology that can read your thoughts and generate plausible output, maybe even without you noticing. Just as hackers can 3Dsca…  ( 66 min )

​ Tsetlin machine learning analyzed as a Markov chain. Hi! The second chapter of "An Introduction to Tsetlin machines" is now ready and studies how a Tsetlin machine is able to learn. Through Markov chain analysis, the chapter shows how the learning ends in a stationary distribution over solution configurations , which allows analysis of the learning properties of Tsetlin machines. Happy to receive feedback for further improvement of the chapter. The chapter can be found here: https://tsetlinmachine.org submitted by /u/olegranmo [link] [comments]  ( 54 min )

Hey, I am currently training a diffusion model on CIFAR. The network is very similar to the code in the annotated diffusion model blog post (https://huggingface.co/blog/annotated-diffusion). Checking Yang Songs code for CIFAR 10 ( https://github.com/yang-song/score_sde ), I see that the DM is trained for a staggering amount of 1 300 000 epochs. One epoch takes 7 seconds on the machine (NVIDIA A100-SXM4-40GB). Therefore overall training would take 2500 hours, i.e. a hundred days? What am I doing wrong? Was the model trained on an even better GPU (what kind of scale)? Or should training an epoch of 50k examples take way below 7 seconds? Or did this really train for a hundred days? submitted by /u/ButterscotchLost421 [link] [comments]  ( 57 min )

Is it a good practice for reviewers? Ask you to compare with for example ArXiv. papers. submitted by /u/Blasphemer666 [link] [comments]  ( 58 min )

🔥 CleanRL's paper has been accepted to the Journal of Machine Learning Research! Introducing CleanRL at v1.0.0, a DRL library that is easy to read, well-documented, and adequately benchmarked. We have added reworked documentation, JAX support, hyperparameter tuning, and more. Here are the links: GitHub Release: https://github.com/vwxyzjn/cleanrl/releases/tag/v1.0.0 Twitter thread: https://twitter.com/vwxyzjn/status/1592246430043103232 Paper Link: https://jmlr.org/papers/v23/21-1342.html I am the main author & feel free to ask me anything here. submitted by /u/vwxyzjn [link] [comments]  ( 62 min )

Data is transforming every field and every business. However, with data growing faster than most companies can keep track of, collecting data and getting value out of that data is a challenging thing to do. A modern data strategy can help you create better business outcomes with data. AWS provides the most complete set of […]  ( 12 min )

In machine learning (ML), data quality has direct impact on model quality. This is why data scientists and data engineers spend significant amount of time perfecting training datasets. Nevertheless, no dataset is perfect—there are trade-offs to the preprocessing techniques such as oversampling, normalization, and imputation. Also, mistakes and errors could creep in at various stages […]  ( 10 min )

At AWS, we have been investing in healthcare since Day 1 with customers including Moderna, Rush University Medical Center, and the NHS who have built breakthrough innovations in the cloud. From developing public health analytics hubs, to improving health equity and patient outcomes, to developing a COVID-19 vaccine in just 65 days, our customers are utilizing […]  ( 7 min )

I was looking up the entropy of a Student t distribution and something didn’t seem right, so I wanted to look at familiar special cases. The Student t distribution with ν degrees of freedom has two important special cases: ν = 1 and ν = ∞. When ν = 1 we get the Cauchy distribution, […] Entropy of a Student t distribution first appeared on John D. Cook.  ( 6 min )

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Hello, Note: before you start reading further you got to know that the loss treshold of around 0.047 is important, because with this loss neural net predicts mean value of a sequence. I have a strange situation, my LSTM neural net is performing differently during trainings.For example on one training it can be stuck at loss 0.047 for over 1000 epochs, and sometimes the loss is dropping after 400 sometimes after 2000 etc. For example now, when I've runned it with 10 000 epochs to just see how the loss will behave, the loss value started to drop from 50'th epoch. When shuffling the data I've used random_state=0, I also set numpy and tensorflow seeds to 42,, I also have keras shuffling in model.fit set to true. So I don't quite get what is going on.I've tried looking on the internet but couldn't really find anything while googling basiccaly the same expression that is in the topic. What can I do to make trainings more "repetitive". Thank you for your help in advance :) submitted by /u/skollehatti [link] [comments]  ( 50 min )

It doesn’t matter if you love hockey, basketball or soccer. Thanks to the internet, there’s never been a better time to be a sports fan. But editing together so many social media clips, long-form YouTube highlights and other videos from global sporting events is no easy feat. So how are all of these craveable video Read article > The post Attention, Sports Fans! WSC Sports’ Amos Berkovich on How AI Keeps the Highlights Coming appeared first on NVIDIA Blog.  ( 4 min )

In recent years, filterbank learning has become an increasingly popular strategy for various audio-related machine learning tasks. This is partly due to its ability to discover task-specific audio characteristics which can be leveraged in downstream processing. It is also a natural extension of the nearly ubiquitous deep learning methods employed to tackle a diverse array of audio applications. In this work, several variations of a frontend filterbank learning module are investigated for piano transcription, a challenging low-level music information retrieval task. We build upon a standard piano transcription model, modifying only the feature extraction stage. The filterbank module is designed such that its complex filters are unconstrained 1D convolutional kernels with long receptive fields. Additional variations employ the Hilbert transform to render the filters intrinsically analytic and apply variational dropout to promote filterbank sparsity. Transcription results are compared across all experiments, and we offer visualization and analysis of the filterbanks.  ( 2 min )

For a $d$-dimensional log-concave distribution $\pi(\theta) \propto e^{-f(\theta)}$ constrained to a convex body $K$, the problem of outputting samples from a distribution $\nu$ which is $\varepsilon$-close in infinity-distance $\sup_{\theta \in K} |\log \frac{\nu(\theta)}{\pi(\theta)}|$ to $\pi$ arises in differentially private optimization. While sampling within total-variation distance $\varepsilon$ of $\pi$ can be done by algorithms whose runtime depends polylogarithmically on $\frac{1}{\varepsilon}$, prior algorithms for sampling in $\varepsilon$ infinity distance have runtime bounds that depend polynomially on $\frac{1}{\varepsilon}$. We bridge this gap by presenting an algorithm that outputs a point $\varepsilon$-close to $\pi$ in infinity distance that requires at most $\mathrm{poly}(\log \frac{1}{\varepsilon}, d)$ calls to a membership oracle for $K$ and evaluation oracle for $f$, when $f$ is Lipschitz. Our approach departs from prior works that construct Markov chains on a $\frac{1}{\varepsilon^2}$-discretization of $K$ to achieve a sample with $\varepsilon$ infinity-distance error, and present a method to directly convert continuous samples from $K$ with total-variation bounds to samples with infinity bounds. This approach also allows us to obtain an improvement on the dimension $d$ in the running time for the problem of sampling from a log-concave distribution on polytopes $K$ with infinity distance $\varepsilon$, by plugging in TV-distance running time bounds for the Dikin Walk Markov chain.  ( 2 min )

Convincing people to get vaccinated against COVID-19 is a key societal challenge in the present times. As a first step towards this goal, many prior works have relied on social media analysis to understand the specific concerns that people have towards these vaccines, such as potential side-effects, ineffectiveness, political factors, and so on. Though there are datasets that broadly classify social media posts into Anti-vax and Pro-Vax labels, there is no dataset (to our knowledge) that labels social media posts according to the specific anti-vaccine concerns mentioned in the posts. In this paper, we have curated CAVES, the first large-scale dataset containing about 10k COVID-19 anti-vaccine tweets labelled into various specific anti-vaccine concerns in a multi-label setting. This is also the first multi-label classification dataset that provides explanations for each of the labels. Additionally, the dataset also provides class-wise summaries of all the tweets. We also perform preliminary experiments on the dataset and show that this is a very challenging dataset for multi-label explainable classification and tweet summarization, as is evident by the moderate scores achieved by some state-of-the-art models. Our dataset and codes are available at: https://github.com/sohampoddar26/caves-data  ( 2 min )

For many years, Evolutionary Algorithms (EAs) have been applied to improve Neural Networks (NNs) architectures. They have been used for solving different problems, such as training the networks (adjusting the weights), designing network topology, optimizing global parameters, and selecting features. Here, we provide a systematic brief survey about applications of the EAs on the specific domain of the recurrent NNs named Reservoir Computing (RC). At the beginning of the 2000s, the RC paradigm appeared as a good option for employing recurrent NNs without dealing with the inconveniences of the training algorithms. RC models use a nonlinear dynamic system, with fixed recurrent neural network named the \textit{reservoir}, and learning process is restricted to adjusting a linear parametric function. %so the performance of learning is fast and precise. However, an RC model has several hyper-parameters, therefore EAs are helpful tools to figure out optimal RC architectures. We provide an overview of the results on the area, discuss novel advances, and we present our vision regarding the new trends and still open questions.  ( 2 min )

In the past few years, neural architecture search (NAS) has become an increasingly important tool within the deep learning community. Despite the many recent successes of NAS, however, most existing approaches operate within highly structured design spaces, and hence explore only a small fraction of the full search space of neural architectures while also requiring significant manual effort from domain experts. In this work, we develop techniques that enable efficient NAS in a significantly larger design space. To accomplish this, we propose to perform NAS in an abstract search space of program properties. Our key insights are as follows: (1) the abstract search space is significantly smaller than the original search space, and (2) architectures with similar program properties also have similar performance; thus, we can search more efficiently in the abstract search space. To enable this approach, we also propose a novel efficient synthesis procedure, which accepts a set of promising program properties, and returns a satisfying neural architecture. We implement our approach, $\alpha$NAS, within an evolutionary framework, where the mutations are guided by the program properties. Starting with a ResNet-34 model, $\alpha$NAS produces a model with slightly improved accuracy on CIFAR-10 but 96% fewer parameters. On ImageNet, $\alpha$NAS is able to improve over Vision Transformer (30% fewer FLOPS and parameters), ResNet-50 (23% fewer FLOPS, 14% fewer parameters), and EfficientNet (7% fewer FLOPS and parameters) without any degradation in accuracy.  ( 3 min )

Recent advances in deep learning models for sequence classification have greatly improved their classification accuracy, specially when large training sets are available. However, several works have suggested that under some settings the predictions made by these models are poorly calibrated. In this work we study binary sequence classification problems and we look at model calibration from a different perspective by asking the question: Are deep learning models capable of learning the underlying target class distribution? We focus on sparse sequence classification, that is problems in which the target class is rare and compare three deep learning sequence classification models. We develop an evaluation that measures how well a classifier is learning the target class distribution. In addition, our evaluation disentangles good performance achieved by mere compression of the training sequences versus performance achieved by proper model generalization. Our results suggest that in this binary setting the deep-learning models are indeed able to learn the underlying class distribution in a non-trivial manner, i.e. by proper generalization beyond data compression.  ( 2 min )

Bayesian Optimization is a useful tool for experiment design. Unfortunately, the classical, sequential setting of Bayesian Optimization does not translate well into laboratory experiments, for instance battery design, where measurements may come from different sources and their evaluations may require significant waiting times. Multi-fidelity Bayesian Optimization addresses the setting with measurements from different sources. Asynchronous batch Bayesian Optimization provides a framework to select new experiments before the results of the prior experiments are revealed. This paper proposes an algorithm combining multi-fidelity and asynchronous batch methods. We empirically study the algorithm behavior, and show it can outperform single-fidelity batch methods and multi-fidelity sequential methods. As an application, we consider designing electrode materials for optimal performance in pouch cells using experiments with coin cells to approximate battery performance.  ( 2 min )

The compositionality and sparsity of high-throughput sequencing data poses a challenge for regression and classification. However, in microbiome research in particular, conditional modeling is an essential tool to investigate relationships between phenotypes and the microbiome. Existing techniques are often inadequate: they either rely on extensions of the linear log-contrast model (which adjusts for compositionality, but is often unable to capture useful signals), or they are based on black-box machine learning methods (which may capture useful signals, but ignore compositionality in downstream analyses). We propose KernelBiome, a kernel-based nonparametric regression and classification framework for compositional data. It is tailored to sparse compositional data and is able to incorporate prior knowledge, such as phylogenetic structure. KernelBiome captures complex signals, including in the zero-structure, while automatically adapting model complexity. We demonstrate on par or improved predictive performance compared with state-of-the-art machine learning methods. Additionally, our framework provides two key advantages: (i) We propose two novel quantities to interpret contributions of individual components and prove that they consistently estimate average perturbation effects of the conditional mean, extending the interpretability of linear log-contrast models to nonparametric models. (ii) We show that the connection between kernels and distances aids interpretability and provides a data-driven embedding that can augment further analysis. Finally, we apply the KernelBiome framework to two public microbiome studies and illustrate the proposed model analysis. KernelBiome is available as an open-source Python package at https://github.com/shimenghuang/KernelBiome.  ( 2 min )

Learning curves plot the expected error of a learning algorithm as a function of the number of labeled samples it receives from a target distribution. They are widely used as a measure of an algorithm's performance, but classic PAC learning theory cannot explain their behavior. As observed by Antos and Lugosi (1996 , 1998), the classic `No Free Lunch' lower bounds only trace the upper envelope above all learning curves of specific target distributions. For a concept class with VC dimension $d$ the classic bound decays like $d/n$, yet it is possible that the learning curve for \emph{every} specific distribution decays exponentially. In this case, for each $n$ there exists a different `hard' distribution requiring $d/n$ samples. Antos and Lugosi asked which concept classes admit a `strong minimax lower bound' -- a lower bound of $d'/n$ that holds for a fixed distribution for infinitely many $n$. We solve this problem in a principled manner, by introducing a combinatorial dimension called VCL that characterizes the best $d'$ for which $d'/n$ is a strong minimax lower bound. Our characterization strengthens the lower bounds of Bousquet, Hanneke, Moran, van Handel, and Yehudayoff (2021), and it refines their theory of learning curves, by showing that for classes with finite VCL the learning rate can be decomposed into a linear component that depends only on the hypothesis class and an exponential component that depends also on the target distribution. As a corollary, we recover the lower bound of Antos and Lugosi (1996 , 1998) for half-spaces in $\mathbb{R}^d$. Finally, to provide another viewpoint on our work and how it compares to traditional PAC learning bounds, we also present an alternative formulation of our results in a language that is closer to the PAC setting.  ( 3 min )

Bayesian optimization~(BO) is often used for accelerator tuning due to its high sample efficiency. However, the computational scalability of training over large data-set can be problematic and the adoption of historical data in a computationally efficient way is not trivial. Here, we exploit a neural network model trained over historical data as a prior mean of BO for FRIB Front-End tuning.  ( 2 min )

Sparse regression has been a popular approach to perform variable selection and enhance the prediction accuracy and interpretability of the resulting statistical model. Existing approaches focus on offline regularized regression, while the online scenario has rarely been studied. In this paper, we propose a novel online sparse linear regression framework for analyzing streaming data when data points arrive sequentially. Our proposed method is memory efficient and requires less stringent restricted strong convexity assumptions. Theoretically, we show that with a properly chosen regularization parameter, the $\ell_2$-norm statistical error of our estimator diminishes to zero in the optimal order of $\tilde{O}({\sqrt{s/t}})$, where $s$ is the sparsity level, $t$ is the streaming sample size, and $\tilde{O}(\cdot)$ hides logarithmic terms. Numerical experiments demonstrate the practical efficiency of our algorithm.  ( 2 min )

Wave propagation through nodes and links of a network forms the basis of spectral graph theory. Nevertheless, the sound emitted by nodes within the resonating chamber formed by a network are not well studied. The sound emitted by vibrations of individual nodes reflects the structure of the overall network topology but also the location of the node within the network. In this article, a sound recognition neural network is trained to infer centrality measures from the nodes' wave-forms. In addition to advancing network representation learning, sounds emitted by nodes are plausible in most cases. Auralization of the network topology may open new directions in arts, competing with network visualization.  ( 2 min )

Pronoun resolution is a challenging subset of an essential field in natural language processing called coreference resolution. Coreference resolution is about finding all entities in the text that refers to the same real-world entity. This paper presents a hybrid model combining multiple rulebased sieves with a machine-learning sieve for pronouns. For this purpose, seven high-precision rule-based sieves are designed for the Persian language. Then, a random forest classifier links pronouns to the previous partial clusters. The presented method demonstrates exemplary performance using pipeline design and combining the advantages of machine learning and rulebased methods. This method has solved some challenges in end-to-end models. In this paper, the authors develop a Persian coreference corpus called Mehr in the form of 400 documents. This corpus fixes some weaknesses of the previous corpora in the Persian language. Finally, the efficiency of the presented system compared to the earlier model in Persian is reported by evaluating the proposed method on the Mehr and Uppsala test sets.  ( 2 min )

Graph mining tasks arise from many different application domains, ranging from social networks, transportation to E-commerce, etc., which have been receiving great attention from the theoretical and algorithmic design communities in recent years, and there has been some pioneering work employing the research-rich Reinforcement Learning (RL) techniques to address graph data mining tasks. However, these graph mining methods and RL models are dispersed in different research areas, which makes it hard to compare them. In this survey, we provide a comprehensive overview of RL and graph mining methods and generalize these methods to Graph Reinforcement Learning (GRL) as a unified formulation. We further discuss the applications of GRL methods across various domains and summarize the method descriptions, open-source codes, and benchmark datasets of GRL methods. Furthermore, we propose important directions and challenges to be solved in the future. As far as we know, this is the latest work on a comprehensive survey of GRL, this work provides a global view and a learning resource for scholars. In addition, we create an online open-source for both interested scholars who want to enter this rapidly developing domain and experts who would like to compare GRL methods.  ( 2 min )

We present a comprehensive, stacking-based framework for combining deep learning with good old-fashioned machine learning, called Deep GOld. Our framework involves ensemble selection from 51 retrained pretrained deep networks as first-level models, and 10 machine-learning algorithms as second-level models. Enabled by today's state-of-the-art software tools and hardware platforms, Deep GOld delivers consistent improvement when tested on four image-classification datasets: Fashion MNIST, CIFAR10, CIFAR100, and Tiny ImageNet. Of 120 experiments, in all but 10 Deep GOld improved the original networks' performance.  ( 2 min )

Bayesian inference has theoretical attractions as a principled framework for reasoning about beliefs. However, the motivations of Bayesian inference which claim it to be the only 'rational' kind of reasoning do not apply in practice. They create a binary split in which all approximate inference is equally 'irrational'. Instead, we should ask ourselves how to define a spectrum of more- and less-rational reasoning that explains why we might prefer one Bayesian approximation to another. I explore approximate inference in Bayesian neural networks and consider the unintended interactions between the probabilistic model, approximating distribution, optimization algorithm, and dataset. The complexity of these interactions highlights the difficulty of any strategy for evaluating Bayesian approximations which focuses entirely on the method, outside the context of specific datasets and decision-problems. For given applications, the expected utility of the approximate posterior can measure inference quality. To assess a model's ability to incorporate different parts of the Bayesian framework we can identify desirable characteristic behaviours of Bayesian reasoning and pick decision-problems that make heavy use of those behaviours. Here, we use continual learning (testing the ability to update sequentially) and active learning (testing the ability to represent credence). But existing continual and active learning set-ups pose challenges that have nothing to do with posterior quality which can distort their ability to evaluate Bayesian approximations. These unrelated challenges can be removed or reduced, allowing better evaluation of approximate inference methods.  ( 2 min )

Distribution comparison plays a central role in many machine learning tasks like data classification and generative modeling. In this study, we propose a novel metric, called Hilbert curve projection (HCP) distance, to measure the distance between two probability distributions with low complexity. In particular, we first project two high-dimensional probability distributions using Hilbert curve to obtain a coupling between them, and then calculate the transport distance between these two distributions in the original space, according to the coupling. We show that HCP distance is a proper metric and is well-defined for probability measures with bounded supports. Furthermore, we demonstrate that the empirical HCP distance with the $L_p$ cost in the $d$-dimensional space converges to its population counterpart at a rate of no more than $O(n^{-1/2\max\{d,p\}})$. To suppress the curse-of-dimensionality, we also develop two variants of the HCP distance using (learnable) subspace projections. Experiments on both synthetic and real-world data show that our HCP distance works as an effective surrogate of the Wasserstein distance with low complexity and overcomes the drawbacks of the sliced Wasserstein distance.  ( 2 min )

Benchmarking the tradeoff between neural network accuracy and training time is computationally expensive. Here we show how a multiplicative cyclic learning rate schedule can be used to construct a tradeoff curve in a single training run. We generate cyclic tradeoff curves for combinations of training methods such as Blurpool, Channels Last, Label Smoothing and MixUp, and highlight how these cyclic tradeoff curves can be used to evaluate the effects of algorithmic choices on network training efficiency.  ( 2 min )

We propose a new framework for differentially private optimization of convex functions which are Lipschitz in an arbitrary norm $\|\cdot\|$. Our algorithms are based on a regularized exponential mechanism which samples from the density $\propto \exp(-k(F+\mu r))$ where $F$ is the empirical loss and $r$ is a regularizer which is strongly convex with respect to $\|\cdot\|$, generalizing a recent work of [Gopi, Lee, Liu '22] to non-Euclidean settings. We show that this mechanism satisfies Gaussian differential privacy and solves both DP-ERM (empirical risk minimization) and DP-SCO (stochastic convex optimization) by using localization tools from convex geometry. Our framework is the first to apply to private convex optimization in general normed spaces and directly recovers non-private SCO rates achieved by mirror descent as the privacy parameter $\epsilon \to \infty$. As applications, for Lipschitz optimization in $\ell_p$ norms for all $p \in (1, 2)$, we obtain the first optimal privacy-utility tradeoffs; for $p = 1$, we improve tradeoffs obtained by the recent works [Asi, Feldman, Koren, Talwar '21, Bassily, Guzman, Nandi '21] by at least a logarithmic factor. Our $\ell_p$ norm and Schatten-$p$ norm optimization frameworks are complemented with polynomial-time samplers whose query complexity we explicitly bound.  ( 2 min )

In this paper, we examine how generative machine learning systems produce a new politics of visual culture. We focus on DALL-E 2 and related models as an emergent approach to image-making that operates through the cultural techniques of feature extraction and semantic compression. These techniques, we argue, are inhuman, invisual, and opaque, yet are still caught in a paradox that is ironically all too human: the consistent reproduction of whiteness as a latent feature of dominant visual culture. We use Open AI's failed efforts to 'debias' their system as a critical opening to interrogate how systems like DALL-E 2 dissolve and reconstitute politically salient human concepts like race. This example vividly illustrates the stakes of this moment of transformation, when so-called foundation models reconfigure the boundaries of visual culture and when 'doing' anti-racism means deploying quick technical fixes to mitigate personal discomfort, or more importantly, potential commercial loss.  ( 2 min )

Natural organized systems adapt to internal and external pressures and this seems to happens all the way down. Wanting to think clearly about this idea motivates our paper, and so the idea is elaborated extensively in the introduction, which should be broadly accessible to a philosophically-interested audience. In the remaining sections, we turn to more compressed category theory. We define the monoidal double category $\mathbf{Org}$ of dynamic organizations, we provide definitions of $\mathbf{Org}$-enriched, or "dynamic", categorical structures -- e.g. dynamic categories, operads, and monoidal categories -- and we show how they instantiate the motivating philosophical ideas. We give two examples of dynamic categorical structures: prediction markets as a dynamic operad and deep learning as a dynamic monoidal category.  ( 2 min )

Explainable artificial intelligence (XAI) provides explanations for not interpretable machine learning (ML) models. While many technical approaches exist, there is a lack of validation of these techniques on real-world datasets. In this work, we present a use-case of XAI: an ML model which is trained to estimate electrification rates based on mobile phone data in Senegal. The data originate from the Data for Development challenge by Orange in 2014/15. We apply two model-agnostic, local explanation techniques and find that while the model can be verified, it is biased with respect to the population density. We conclude our paper by pointing to the two main challenges we encountered during our work: data processing and model design that might be restricted by currently available XAI methods, and the importance of domain knowledge to interpret explanations.  ( 2 min )

Bayesian optimization has emerged at the forefront of expensive black-box optimization due to its data efficiency. Recent years have witnessed a proliferation of studies on the development of new Bayesian optimization algorithms and their applications. Hence, this paper attempts to provide a comprehensive and updated survey of recent advances in Bayesian optimization and identify interesting open problems. We categorize the existing work on Bayesian optimization into nine main groups according to the motivations and focus of the proposed algorithms. For each category, we present the main advances with respect to the construction of surrogate models and adaptation of the acquisition functions. Finally, we discuss the open questions and suggest promising future research directions, in particular with regard to heterogeneity, privacy preservation, and fairness in distributed and federated optimization systems.

With the advent and increasing consolidation of e-commerce, digital advertising has very recently replaced traditional advertising as the main marketing force in the economy. In the past four years, a particularly important development in the digital advertising industry is the shift from second-price auctions to first-price auctions for online display ads. This shift immediately motivated the intellectually challenging question of how to bid in first-price auctions, because unlike in second-price auctions, bidding one's private value truthfully is no longer optimal. Following a series of recent works in this area, we consider a differentiated setup: we do not make any assumption about other bidders' maximum bid (i.e. it can be adversarial over time), and instead assume that we have access to a hint that serves as a prediction of other bidders' maximum bid, where the prediction is learned through some blackbox machine learning model. We consider two types of hints: one where a single point-prediction is available, and the other where a hint interval (representing a type of confidence region into which others' maximum bid falls) is available. We establish minimax optimal regret bounds for both cases and highlight the quantitatively different behavior between the two settings. We also provide improved regret bounds when the others' maximum bid exhibits the further structure of sparsity. Finally, we complement the theoretical results with demonstrations using real bidding data.

Lagrangian and Hamiltonian neural networks (LNNs and HNNs, respectively) encode strong inductive biases that allow them to outperform other models of physical systems significantly. However, these models have, thus far, mostly been limited to simple systems such as pendulums and springs or a single rigid body such as a gyroscope or a rigid rotor. Here, we present a Lagrangian graph neural network (LGNN) that can learn the dynamics of articulated rigid bodies by exploiting their topology. We demonstrate the performance of LGNN by learning the dynamics of ropes, chains, and trusses with the bars modeled as rigid bodies. LGNN also exhibits generalizability -- LGNN trained on chains with a few segments exhibits generalizability to simulate a chain with large number of links and arbitrary link length. We also show that the LGNN can simulate unseen hybrid systems including bars and chains, on which they have not been trained on. Specifically, we show that the LGNN can be used to model the dynamics of complex real-world structures such as the stability of tensegrity structures. Finally, we discuss the non-diagonal nature of the mass matrix and its ability to generalize in complex systems.

ASR can be improved by multi-task learning (MTL) with domain enhancing or domain adversarial training, which are two opposite objectives with the aim to increase/decrease domain variance towards domain-aware/agnostic ASR, respectively. In this work, we study how to best apply these two opposite objectives with speaker labels to improve conformer-based ASR. We also propose a novel adaptive gradient reversal layer for stable and effective adversarial training without tuning effort. Detailed analysis and experimental verification are conducted to show the optimal positions in the ASR neural network (NN) to apply speaker enhancing and adversarial training. We also explore their combination for further improvement, achieving the same performance as i-vectors plus adversarial training. Our best speaker-based MTL achieves 7\% relative improvement on the Switchboard Hub5'00 set. We also investigate the effect of such speaker-based MTL w.r.t. cleaner dataset and weaker ASR NN.

Most graph neural network models rely on a particular message passing paradigm, where the idea is to iteratively propagate node representations of a graph to each node in the direct neighborhood. While very prominent, this paradigm leads to information propagation bottlenecks, as information is repeatedly compressed at intermediary node representations, which causes loss of information, making it practically impossible to gather meaningful signals from distant nodes. To address this issue, we propose shortest path message passing neural networks, where the node representations of a graph are propagated to each node in the shortest path neighborhoods. In this setting, nodes can directly communicate between each other even if they are not neighbors, breaking the information bottleneck and hence leading to more adequately learned representations. Theoretically, our framework generalizes message passing neural networks, resulting in provably more expressive models, and we show that some recent state-of-the-art models are special instances of this framework. Empirically, we verify the capacity of a basic model of this framework on dedicated synthetic experiments, and on real-world graph classification and regression benchmarks, and obtain state-of-the-art results.

We introduce a new benchmark dataset, Placenta, for node classification in an underexplored domain: predicting microanatomical tissue structures from cell graphs in placenta histology whole slide images. This problem is uniquely challenging for graph learning for a few reasons. Cell graphs are large (>1 million nodes per image), node features are varied (64-dimensions of 11 types of cells), class labels are imbalanced (9 classes ranging from 0.21% of the data to 40.0%), and cellular communities cluster into heterogeneously distributed tissues of widely varying sizes (from 11 nodes to 44,671 nodes for a single structure). Here, we release a dataset consisting of two cell graphs from two placenta histology images totalling 2,395,747 nodes, 799,745 of which have ground truth labels. We present inductive benchmark results for 7 scalable models and show how the unique qualities of cell graphs can help drive the development of novel graph neural network architectures.

The present paper reviews and discusses work from computer science that proposes to identify concepts in internal representations (hidden layers) of DNNs. It is examined, first, how existing methods actually identify concepts that are supposedly represented in DNNs. Second, it is discussed how conceptual spaces -- sets of concepts in internal representations -- are shaped by a tradeoff between predictive accuracy and compression. These issues are critically examined by drawing on philosophy. While there is evidence that DNNs able to represent non-trivial inferential relations between concepts, our ability to identify concepts is severely limited.

This work introduces BRILLsson, a novel binary neural network-based representation learning model for a broad range of non-semantic speech tasks. We train the model with knowledge distillation from a large and real-valued TRILLsson model with only a fraction of the dataset used to train TRILLsson. The resulting BRILLsson models are only 2MB in size with a latency less than 8ms, making them suitable for deployment in low-resource devices such as wearables. We evaluate BRILLsson on eight benchmark tasks (including but not limited to spoken language identification, emotion recognition, health condition diagnosis, and keyword spotting), and demonstrate that our proposed ultra-light and low-latency models perform as well as large-scale models.

Inspired by progress in large-scale language modeling, we apply a similar approach towards building a single generalist agent beyond the realm of text outputs. The agent, which we refer to as Gato, works as a multi-modal, multi-task, multi-embodiment generalist policy. The same network with the same weights can play Atari, caption images, chat, stack blocks with a real robot arm and much more, deciding based on its context whether to output text, joint torques, button presses, or other tokens. In this report we describe the model and the data, and document the current capabilities of Gato.

We investigate the use of animal videos (observations) to improve Reinforcement Learning (RL) efficiency and performance in navigation tasks with sparse rewards. Motivated by theoretical considerations, we make use of weighted policy optimization for off-policy RL and describe the main challenges when learning from animal videos. We propose solutions and test our ideas on a series of 2D navigation tasks. We show how our methods can leverage animal videos to improve performance over RL algorithms that do not leverage such observations.

In this work we study statistical properties of graph-based algorithms for multi-manifold clustering (MMC). In MMC the goal is to retrieve the multi-manifold structure underlying a given Euclidean data set when this one is assumed to be obtained by sampling a distribution on a union of manifolds $\mathcal{M} = \mathcal{M}_1 \cup\dots \cup \mathcal{M}_N$ that may intersect with each other and that may have different dimensions. We investigate sufficient conditions that similarity graphs on data sets must satisfy in order for their corresponding graph Laplacians to capture the right geometric information to solve the MMC problem. Precisely, we provide high probability error bounds for the spectral approximation of a tensorized Laplacian on $\mathcal{M}$ with a suitable graph Laplacian built from the observations; the recovered tensorized Laplacian contains all geometric information of all the individual underlying manifolds. We provide an example of a family of similarity graphs, which we call annular proximity graphs with angle constraints, satisfying these sufficient conditions. We contrast our family of graphs with other constructions in the literature based on the alignment of tangent planes. Extensive numerical experiments expand the insights that our theory provides on the MMC problem.

The electrification of shared mobility has become popular across the globe. Many cities have their new shared e-mobility systems deployed, with continuously expanding coverage from central areas to the city edges. A key challenge in the operation of these systems is fleet rebalancing, i.e., how EVs should be repositioned to better satisfy future demand. This is particularly challenging in the context of expanding systems, because i) the range of the EVs is limited while charging time is typically long, which constrain the viable rebalancing operations; and ii) the EV stations in the system are dynamically changing, i.e., the legitimate targets for rebalancing operations can vary over time. We tackle these challenges by first investigating rich sets of data collected from a real-world shared e-mobility system for one year, analyzing the operation model, usage patterns and expansion dynamics of this new mobility mode. With the learned knowledge we design a high-fidelity simulator, which is able to abstract key operation details of EV sharing at fine granularity. Then we model the rebalancing task for shared e-mobility systems under continuous expansion as a Multi-Agent Reinforcement Learning (MARL) problem, which directly takes the range and charging properties of the EVs into account. We further propose a novel policy optimization approach with action cascading, which is able to cope with the expansion dynamics and solve the formulated MARL. We evaluate the proposed approach extensively, and experimental results show that our approach outperforms the state-of-the-art, offering significant performance gain in both satisfied demand and net revenue.

Predicting the health risks of patients using Electronic Health Records (EHR) has attracted considerable attention in recent years, especially with the development of deep learning techniques. Health risk refers to the probability of the occurrence of a specific health outcome for a specific patient. The predicted risks can be used to support decision-making by healthcare professionals. EHRs are structured patient journey data. Each patient journey contains a chronological set of clinical events, and within each clinical event, there is a set of clinical/medical activities. Due to variations of patient conditions and treatment needs, EHR patient journey data has an inherently high degree of missingness that contains important information affecting relationships among variables, including time. Existing deep learning-based models generate imputed values for missing values when learning the relationships. However, imputed data in EHR patient journey data may distort the clinical meaning of the original EHR patient journey data, resulting in classification bias. This paper proposes a novel end-to-end approach to modeling EHR patient journey data with Integrated Convolutional and Recurrent Neural Networks. Our model can capture both long- and short-term temporal patterns within each patient journey and effectively handle the high degree of missingness in EHR data without any imputation data generation. Extensive experimental results using the proposed model on two real-world datasets demonstrate robust performance as well as superior prediction accuracy compared to existing state-of-the-art imputation-based prediction methods.

Most AI systems are black boxes generating reasonable outputs for given inputs. Some domains, however, have explainability and trustworthiness requirements that cannot be directly met by these approaches. Various methods have therefore been developed to interpret black-box models after training. This paper advocates an alternative approach where the models are transparent and explainable to begin with. This approach, EVOTER, evolves rule-sets based on simple logical expressions. The approach is evaluated in several prediction/classification and prescription/policy search domains with and without a surrogate. It is shown to discover meaningful rule sets that perform similarly to black-box models. The rules can provide insight into the domain, and make biases hidden in the data explicit. It may also be possible to edit them directly to remove biases and add constraints. EVOTER thus forms a promising foundation for building trustworthy AI systems for real-world applications in the future.

Machine learning has been widely used in healthcare applications to approximate complex models, for clinical diagnosis, prognosis, and treatment. As deep learning has the outstanding ability to extract information from time series, its true capabilities on sparse, irregularly sampled, multivariate, and imbalanced physiological data are not yet fully explored. In this paper, we systematically examine the performance of machine learning models for the clinical prediction task based on the EHR, especially physiological time series. We choose Physionet 2019 challenge public dataset to predict Sepsis outcomes in ICU units. Ten baseline machine learning models are compared, including 3 deep learning methods and 7 non-deep learning methods, commonly used in the clinical prediction domain. Nine evaluation metrics with specific clinical implications are used to assess the performance of models. Besides, we sub-sample training dataset sizes and use learning curve fit to investigate the impact of the training dataset size on the performance of the machine learning models. We also propose the general pre-processing method for the physiology time-series data and use Dice Loss to deal with the dataset imbalanced problem. The results show that deep learning indeed outperforms non-deep learning, but with certain conditions: firstly, evaluating with some particular evaluation metrics (AUROC, AUPRC, Sensitivity, and FNR), but not others; secondly, the training dataset size is large enough (with an estimation of a magnitude of thousands).

The event-driven and sparse nature of communication between spiking neurons in the brain holds great promise for flexible and energy-efficient AI. Recent advances in learning algorithms have demonstrated that recurrent networks of spiking neurons can be effectively trained to achieve competitive performance compared to standard recurrent neural networks. Still, as these learning algorithms use error-backpropagation through time (BPTT), they suffer from high memory requirements, are slow to train, and are incompatible with online learning. This limits the application of these learning algorithms to relatively small networks and to limited temporal sequence lengths. Online approximations to BPTT with lower computational and memory complexity have been proposed (e-prop, OSTL), but in practice also suffer from memory limitations and, as approximations, do not outperform standard BPTT training. Here, we show how a recently developed alternative to BPTT, Forward Propagation Through Time (FPTT) can be applied in spiking neural networks. Different from BPTT, FPTT attempts to minimize an ongoing dynamically regularized risk on the loss. As a result, FPTT can be computed in an online fashion and has fixed complexity with respect to the sequence length. When combined with a novel dynamic spiking neuron model, the Liquid-Time-Constant neuron, we show that SNNs trained with FPTT outperform online BPTT approximations, and approach or exceed offline BPTT accuracy on temporal classification tasks. This approach thus makes it feasible to train SNNs in a memory-friendly online fashion on long sequences and scale up SNNs to novel and complex neural architectures.

Clinical machine learning models show a significant performance drop when tested in settings not seen during training. Domain generalisation models promise to alleviate this problem, however, there is still scepticism about whether they improve over traditional training. In this work, we take a principled approach to identifying Out of Distribution (OoD) environments, motivated by the problem of cross-hospital generalization in critical care. We propose model-based and heuristic approaches to identify OoD environments and systematically compare models with different levels of held-out information. We find that access to OoD data does not translate to increased performance, pointing to inherent limitations in defining potential OoD environments potentially due to data harmonisation and sampling. Echoing similar results with other popular clinical benchmarks in the literature, new approaches are required to evaluate robust models on health records.

We introduce a general theoretical framework, designed for the study of gradient optimisation of deep neural networks, that encompasses ubiquitous architectural choices including batch normalisation, weight normalisation and skip connections. We use our framework to conduct a global analysis of the curvature and regularity properties of neural network loss landscapes induced by normalisation layers and skip connections respectively. We then demonstrate the utility of this framework in two respects. First, we give the only proof of which we are presently aware that a class of deep neural networks can be trained using gradient descent to global optima even when such optima only exist at infinity, as is the case for the cross-entropy cost. Second, we verify a prediction made by the theory, that skip connections accelerate training, with ResNets on MNIST, CIFAR10, CIFAR100 and ImageNet.

Increasingly high-stakes decisions are made using neural networks in order to make predictions. Specifically, meteorologists and hedge funds apply these techniques to time series data. When it comes to prediction, there are certain limitations for machine learning models (such as lack of expressiveness, vulnerability of domain shifts and overconfidence) which can be solved using uncertainty estimation. There is a set of expectations regarding how uncertainty should ``behave". For instance, a wider prediction horizon should lead to more uncertainty or the model's confidence should be proportional to its accuracy. In this paper, different uncertainty estimation methods are compared to forecast meteorological time series data and evaluate these expectations. The results show how each uncertainty estimation method performs on the forecasting task, which partially evaluates the robustness of predicted uncertainty.

It is important to guarantee that machine learning algorithms deployed in the real world do not result in unfairness or unintended social consequences. Fair ML has largely focused on the protection of single attributes in the simpler setting where both attributes and target outcomes are binary. However, the practical application in many a real-world problem entails the simultaneous protection of multiple sensitive attributes, which are often not simply binary, but continuous or categorical. To address this more challenging task, we introduce FairCOCCO, a fairness measure built on cross-covariance operators on reproducing kernel Hilbert Spaces. This leads to two practical tools: first, the FairCOCCO Score, a normalised metric that can quantify fairness in settings with single or multiple sensitive attributes of arbitrary type; and second, a subsequent regularisation term that can be incorporated into arbitrary learning objectives to obtain fair predictors. These contributions address crucial gaps in the algorithmic fairness literature, and we empirically demonstrate consistent improvements against state-of-the-art techniques in balancing predictive power and fairness on real-world datasets.

The use of emojis affords a visual modality to, often private, textual communication. The task of predicting emojis however provides a challenge for machine learning as emoji use tends to cluster into the frequently used and the rarely used emojis. Much of the machine learning research on emoji use has focused on high resource languages and has conceptualised the task of predicting emojis around traditional server-side machine learning approaches. However, traditional machine learning approaches for private communication can introduce privacy concerns, as these approaches require all data to be transmitted to a central storage. In this paper, we seek to address the dual concerns of emphasising high resource languages for emoji prediction and risking the privacy of people's data. We introduce a new dataset of $118$k tweets (augmented from $25$k unique tweets) for emoji prediction in Hindi, and propose a modification to the federated learning algorithm, CausalFedGSD, which aims to strike a balance between model performance and user privacy. We show that our approach obtains comparative scores with more complex centralised models while reducing the amount of data required to optimise the models and minimising risks to user privacy.

We consider after-study statistical inference for sequentially designed experiments wherein multiple units are assigned treatments for multiple time points using treatment policies that adapt over time. Our goal is to provide inference guarantees for the counterfactual mean at the smallest possible scale -- mean outcome under different treatments for each unit and each time -- with minimal assumptions on the adaptive treatment policy. Without any structural assumptions on the counterfactual means, this challenging task is infeasible due to more unknowns than observed data points. To make progress, we introduce a latent factor model over the counterfactual means that serves as a non-parametric generalization of the non-linear mixed effects model and the bilinear latent factor model considered in prior works. For estimation, we use a non-parametric method, namely a variant of nearest neighbors, and establish a non-asymptotic high probability error bound for the counterfactual mean for each unit and each time. Under regularity conditions, this bound leads to asymptotically valid confidence intervals for the counterfactual mean as the number of units and time points grows to $\infty$.

The spread of misinformation is a prominent problem in today's society, and many researchers in academia and industry are trying to combat it. Due to the vast amount of misinformation that is created every day, it is unrealistic to leave this task to human fact-checkers. Data scientists and researchers have been working on automated misinformation detection for years, and it is still a challenging problem today. The goal of our research is to add a new level to automated misinformation detection; classifying segments of text with persuasive writing techniques in order to produce interpretable reasoning for why an article can be marked as misinformation. To accomplish this, we present a novel annotation scheme containing many common persuasive writing tactics, along with a dataset with human annotations accordingly. For this task, we make use of a RoBERTa model for text classification, due to its high performance in NLP. We develop several language model-based baselines and present the results of our persuasive strategy label predictions as well as the improvements these intermediate labels make in detecting misinformation and producing interpretable results.

Recent research has shown remarkable performance in leveraging multiple extraneous conditional and non-mutually exclusive semantic concepts for sound source separation, allowing the flexibility to extract a given target source based on multiple different queries. In this work, we propose a new optimal condition training (OCT) method for single-channel target source separation, based on greedy parameter updates using the highest performing condition among equivalent conditions associated with a given target source. Our experiments show that the complementary information carried by the diverse semantic concepts significantly helps to disentangle and isolate sources of interest much more efficiently compared to single-conditioned models. Moreover, we propose a variation of OCT with condition refinement, in which an initial conditional vector is adapted to the given mixture and transformed to a more amenable representation for target source extraction. We showcase the effectiveness of OCT on diverse source separation experiments where it improves upon permutation invariant models with oracle assignment and obtains state-of-the-art performance in the more challenging task of text-based source separation, outperforming even dedicated text-only conditioned models.

Domain adaptation is an effective solution to data scarcity in low-resource scenarios. However, when applied to token-level tasks such as bioNER, domain adaptation methods often suffer from the challenging linguistic characteristics that clinical narratives possess, which leads to unsatisfactory performance. In this paper, we present a simple yet effective hardness-guided domain adaptation (HGDA) framework for bioNER tasks that can effectively leverage the domain hardness information to improve the adaptability of the learnt model in low-resource scenarios. Experimental results on biomedical datasets show that our model can achieve significant performance improvement over the recently published state-of-the-art (SOTA) MetaNER model

Trusting the predictions of deep learning models in safety critical settings such as the medical domain is still not a viable option. Distentangled uncertainty quantification in the field of medical imaging has received little attention. In this paper, we study disentangled uncertainties in image to image translation tasks in the medical domain. We compare multiple uncertainty quantification methods, namely Ensembles, Flipout, Dropout, and DropConnect, while using CycleGAN to convert T1-weighted brain MRI scans to T2-weighted brain MRI scans. We further evaluate uncertainty behavior in the presence of out of distribution data (Brain CT and RGB Face Images), showing that epistemic uncertainty can be used to detect out of distribution inputs, which should increase reliability of model outputs.

We consider the stochastic linear contextual bandit problem with high-dimensional features. We analyze the Thompson sampling (TS) algorithm, using special classes of sparsity-inducing priors (e.g. spike-and-slab) to model the unknown parameter, and provide a nearly optimal upper bound on the expected cumulative regret. To the best of our knowledge, this is the first work that provides theoretical guarantees of Thompson sampling in high dimensional and sparse contextual bandits. For faster computation, we use spike-and-slab prior to model the unknown parameter and variational inference instead of MCMC to approximate the posterior distribution. Extensive simulations demonstrate improved performance of our proposed algorithm over existing ones.

As the quantum counterparts to the classical artificial neural networks underlying widespread machine-learning applications, unitary-based quantum neural networks are active in various fields of quantum computation. Despite the potential, their developments have been hampered by the elevated cost of optimizations and difficulty in realizations. Here, we propose a quantum neural network in the form of fermion models whose physical properties, such as the local density of states and conditional conductance, serve as outputs, and establish an efficient optimization comparable to back-propagation. In addition to competitive accuracy on challenging classical machine-learning benchmarks, our fermion quantum neural network performs machine learning on quantum systems with high precision and without preprocessing. The quantum nature also brings various other advantages, e.g., quantum correlations entitle networks with more general and local connectivity facilitating numerical simulations and experimental realizations, as well as novel perspectives to address the vanishing gradient problem long plaguing deep networks. We also demonstrate the applications of our quantum toolbox, such as quantum-entanglement analysis, for interpretable machine learning, including training dynamics, decision logic flow, and criteria formulation.

Collaborative autonomous multi-agent systems covering a specified area have many potential applications, such as UAV search and rescue, forest fire fighting, and real-time high-resolution monitoring. Traditional approaches for such coverage problems involve designing a model-based control policy based on sensor data. However, designing model-based controllers is challenging, and the state-of-the-art classical control policy still exhibits a large degree of suboptimality. In this paper, we present a reinforcement learning (RL) approach for the multi-agent coverage problem involving agents with second-order dynamics. Our approach is based on the Multi-Agent Proximal Policy Optimization Algorithm (MAPPO). To improve the stability of the learning-based policy and efficiency of exploration, we utilize an imitation loss based on the state-of-the-art classical control policy. Our trained policy significantly outperforms the state-of-the-art. Our proposed network architecture includes incorporation of self attention, which allows a single-shot domain transfer of the trained policy to a large variety of domain shapes and number of agents. We demonstrate our proposed method in a variety of simulated experiments.

Motivated by the fragility of neural network (NN) controllers in safety-critical applications, we present a data-driven framework for verifying the risk of stochastic dynamical systems with NN controllers. Given a stochastic control system, an NN controller, and a specification equipped with a notion of trace robustness (e.g., constraint functions or signal temporal logic), we collect trajectories from the system that may or may not satisfy the specification. In particular, each of the trajectories produces a robustness value that indicates how well (severely) the specification is satisfied (violated). We then compute risk metrics over these robustness values to estimate the risk that the NN controller will not satisfy the specification. We are further interested in quantifying the difference in risk between two systems, and we show how the risk estimated from a nominal system can provide an upper bound the risk of a perturbed version of the system. In particular, the tightness of this bound depends on the closeness of the systems in terms of the closeness of their system trajectories. For Lipschitz continuous and incrementally input-to-state stable systems, we show how to exactly quantify system closeness with varying degrees of conservatism, while we estimate system closeness for more general systems from data in our experiments. We demonstrate our risk verification approach on two case studies, an underwater vehicle and an F1/10 autonomous car.

The asteroidal main belt is crossed by a web of mean-motion and secular resonances, that occur when there is a commensurability between fundamental frequencies of the asteroids and planets. Traditionally, these objects were identified by visual inspection of the time evolution of their resonant argument, which is a combination of orbital elements of the asteroid and the perturbing planet(s). Since the population of asteroids affected by these resonances is, in some cases, of the order of several thousand, this has become a taxing task for a human observer. Recent works used Convolutional Neural Networks (CNN) models to perform such task automatically. In this work, we compare the outcome of such models with those of some of the most advanced and publicly available CNN architectures, like the VGG, Inception and ResNet. The performance of such models is first tested and optimized for overfitting issues, using validation sets and a series of regularization techniques like data augmentation, dropout, and batch normalization. The three best-performing models were then used to predict the labels of larger testing databases containing thousands of images. The VGG model, with and without regularizations, proved to be the most efficient method to predict labels of large datasets. Since the Vera C. Rubin observatory is likely to discover up to four million new asteroids in the next few years, the use of these models might become quite valuable to identify populations of resonant minor bodies.

In September 2016, Stanford's "One Hundred Year Study on Artificial Intelligence" project (AI100) issued the first report of its planned long-term periodic assessment of artificial intelligence (AI) and its impact on society. It was written by a panel of 17 study authors, each of whom is deeply rooted in AI research, chaired by Peter Stone of the University of Texas at Austin. The report, entitled "Artificial Intelligence and Life in 2030," examines eight domains of typical urban settings on which AI is likely to have impact over the coming years: transportation, home and service robots, healthcare, education, public safety and security, low-resource communities, employment and workplace, and entertainment. It aims to provide the general public with a scientifically and technologically accurate portrayal of the current state of AI and its potential and to help guide decisions in industry and governments, as well as to inform research and development in the field. The charge for this report was given to the panel by the AI100 Standing Committee, chaired by Barbara Grosz of Harvard University.

In order to track and comprehend the academic achievement of students, both private and public educational institutions devote a significant amount of resources and labour. One of the difficult issues that institutes deal with on a regular basis is understanding the exam shortcomings of students. The performance of a student is influenced by a variety of factors, including attendance, attentiveness in class, understanding of concepts taught, the teachers ability to deliver the material effectively, timely completion of home assignments, and the concern of parents and teachers for guiding the student through the learning process. We propose a data driven approach that makes use of Machine Learning techniques to generate a classifier called credit score that helps to comprehend the learning journeys of students and identify activities that lead to subpar performances. This would make it easier for educators and institute management to create guidelines for system development to increase productivity. The proposal to use credit score as progress indicator is well suited to be used in a Learning Management System. In this article, we demonstrate the proof of the concept under simplified assumptions using simulated data.

With the improvement of arithmetic power and algorithm accuracy of personal devices, biological features are increasingly widely used in personal identification, and palm vein recognition has rich extractable features and has been widely studied in recent years. However, traditional recognition methods are poorly robust and susceptible to environmental influences such as reflections and noise. In this paper, a convolutional neural network based on VGG-16 transfer learning fused attention mechanism is used as the feature extraction network on the infrared palm vein dataset. The palm vein classification task is first trained using palmprint classification methods, followed by matching using a similarity function, in which we propose the multi-task loss function to improve the accuracy of the matching task. In order to verify the robustness of the model, some experiments were carried out on datasets from different sources. Then, we used K-means clustering to determine the adaptive matching threshold and finally achieved an accuracy rate of 98.89% on prediction set. At the same time, the matching is with high efficiency which takes an average of 0.13 seconds per palm vein pair, and that means our method can be adopted in practice.

Community detection is the task of discovering groups of nodes sharing similar patterns within a network. With recent advancements in deep learning, methods utilizing graph representation learning and deep clustering have shown great results in community detection. However, these methods often rely on the topology of networks (i) ignoring important features such as network heterogeneity, temporality, multimodality, and other possibly relevant features. Besides, (ii) the number of communities is not known a priori and is often left to model selection. In addition, (iii) in multimodal networks all nodes are assumed to be symmetrical in their features; while true for homogeneous networks, most of the real-world networks are heterogeneous where feature availability often varies. In this paper, we propose a novel framework (named MGTCOM) that overcomes the above challenges (i)--(iii). MGTCOM identifies communities through multimodal feature learning by leveraging a new sampling technique for unsupervised learning of temporal embeddings. Importantly, MGTCOM is an end-to-end framework optimizing network embeddings, communities, and the number of communities in tandem. In order to assess its performance, we carried out an extensive evaluation on a number of multimodal networks. We found out that our method is competitive against state-of-the-art and performs well in inductive inference.

As an efficient way to integrate multiple distributed energy resources and the user side, a microgrid is mainly faced with the problems of small-scale volatility, uncertainty, intermittency and demand-side uncertainty of DERs. The traditional microgrid has a single form and cannot meet the flexible energy dispatch between the complex demand side and the microgrid. In response to this problem, the overall environment of wind power, thermostatically controlled loads, energy storage systems, price-responsive loads and the main grid is proposed. Secondly, the centralized control of the microgrid operation is convenient for the control of the reactive power and voltage of the distributed power supply and the adjustment of the grid frequency. However, there is a problem in that the flexible loads aggregate and generate peaks during the electricity price valley. The existing research takes into account the power constraints of the microgrid and fails to ensure a sufficient supply of electric energy for a single flexible load. This paper considers the response priority of each unit component of TCLs and ESSs on the basis of the overall environment operation of the microgrid so as to ensure the power supply of the flexible load of the microgrid and save the power input cost to the greatest extent. Finally, the simulation optimization of the environment can be expressed as a Markov decision process process. It combines two stages of offline and online operations in the training process. The addition of multiple threads with the lack of historical data learning leads to low learning efficiency. The asynchronous advantage actor-critic with the experience replay pool memory library is added to solve the data correlation and nonstatic distribution problems during training.

We introduce Breadth-First Pipeline Parallelism, a novel training schedule which optimizes the combination of pipeline and data parallelism. Breadth-First Pipeline Parallelism lowers training time, cost and memory usage by combining a high GPU utilization with a small batch size per GPU, and by making use of fully sharded data parallelism. Experimentally, we observed increases of up to 53% in training speed.

This paper proposes a simple method for controllable text generation based on weighting logits with a free-form classifier, namely CAIF sampling. Using an arbitrary text classifier, we adjust a small part of a language model's logits and guide text generation towards or away from classifier prediction. We experimented with toxicity avoidance and sentiment control tasks and showed that the proposed method significantly outperforms recent PPLM, GeDi, and DExperts on PPL and task accuracy metrics based on the external classifier of generated texts. In addition, compared to other approaches, it is easier to implement and tune and has significantly fewer restrictions and requirements.

Intense debate in the Neurology community before 2010 culminated in hypothetical models of Alzheimer's disease progression: a pathophysiological cascade of biomarkers, each dynamic for only a segment of the full disease timeline. Inspired by this, data-driven disease progression modelling emerged from the computer science community with the aim to reconstruct neurodegenerative disease timelines using data from large cohorts of patients, healthy controls, and prodromal/at-risk individuals. This chapter describes selected highlights from the field, with a focus on utility for understanding and forecasting of disease progression.

The new wave of digitization induced by Industry 4.0 calls for ubiquitous and reliable connectivity to perform and automate industrial operations. 5G networks can afford the extreme requirements of heterogeneous vertical applications, but the lack of real data and realistic traffic statistics poses many challenges for the optimization and configuration of the network for industrial environments. In this paper, we investigate the network traffic data generated from a laser cutting machine deployed in a Trumpf factory in Germany. We analyze the traffic statistics, capture the dependencies between the internal states of the machine, and model the network traffic as a production state dependent stochastic process. The two-step model is proposed as follows: first, we model the production process as a multi-state semi-Markov process, then we learn the conditional distributions of the production state dependent packet interarrival time and packet size with generative models. We compare the performance of various generative models including variational autoencoder (VAE), conditional variational autoencoder (CVAE), and generative adversarial network (GAN). The numerical results show a good approximation of the traffic arrival statistics depending on the production state. Among all generative models, CVAE provides in general the best performance in terms of the smallest Kullback-Leibler divergence.

This article reviews the landscape of ethical challenges of integrating artificial intelligence (AI) into smart healthcare products, including medical electronic devices. Differences between traditional ethics in the medical domain and emerging ethical challenges with AI-driven healthcare are presented, particularly as they relate to transparency, bias, privacy, safety, responsibility, justice, and autonomy. Open challenges and recommendations are outlined to enable the integration of ethical principles into the design, validation, clinical trials, deployment, monitoring, repair, and retirement of AI-based smart healthcare products.

Transformers have revolutionized vision and natural language processing with their ability to scale with large datasets. But in robotic manipulation, data is both limited and expensive. Can manipulation still benefit from Transformers with the right problem formulation? We investigate this question with PerAct, a language-conditioned behavior-cloning agent for multi-task 6-DoF manipulation. PerAct encodes language goals and RGB-D voxel observations with a Perceiver Transformer, and outputs discretized actions by ``detecting the next best voxel action''. Unlike frameworks that operate on 2D images, the voxelized 3D observation and action space provides a strong structural prior for efficiently learning 6-DoF actions. With this formulation, we train a single multi-task Transformer for 18 RLBench tasks (with 249 variations) and 7 real-world tasks (with 18 variations) from just a few demonstrations per task. Our results show that PerAct significantly outperforms unstructured image-to-action agents and 3D ConvNet baselines for a wide range of tabletop tasks.

Data-driven decision making plays an important role even in high stakes settings like medicine and public policy. Learning optimal policies from observed data requires a careful formulation of the utility function whose expected value is maximized across a population. Although researchers typically use utilities that depend on observed outcomes alone, in many settings the decision maker's utility function is more properly characterized by the joint set of potential outcomes under all actions. For example, the Hippocratic principle to ``do no harm'' implies that the cost of causing death to a patient who would otherwise survive without treatment is greater than the cost of forgoing life-saving treatment. We consider optimal policy learning with asymmetric utility functions of this form. We show that asymmetric utilities lead to an unidentifiable social welfare function, and so we first partially identify it. Drawing on statistical decision theory, we then derive minimax decision rules by minimizing the maximum regret relative to alternative policies. We show that one can learn minimax decision rules from observed data by solving intermediate classification problems. We also establish that the finite sample regret of this procedure is bounded by the mis-classification rate of these intermediate classifiers. We apply this conceptual framework and methodology to the decision about whether or not to use right heart catheterization for patients with possible pulmonary hypertension.  ( 2 min )

In the era of big data, it is desired to develop efficient machine learning algorithms to tackle massive data challenges such as storage bottleneck, algorithmic scalability, and interpretability. In this paper, we develop a novel efficient classification algorithm, called fast polynomial kernel classification (FPC), to conquer the scalability and storage challenges. Our main tools are a suitable selected feature mapping based on polynomial kernels and an alternating direction method of multipliers (ADMM) algorithm for a related non-smooth convex optimization problem. Fast learning rates as well as feasibility verifications including the efficiency of an ADMM solver with convergence guarantees and the selection of center points are established to justify theoretical behaviors of FPC. Our theoretical assertions are verified by a series of simulations and real data applications. Numerical results demonstrate that FPC significantly reduces the computational burden and storage memory of existing learning schemes such as support vector machines, Nystr\"{o}m and random feature methods, without sacrificing their generalization abilities much.

Sparse tensors are rapidly becoming critical components of modern deep learning workloads. However, developing high-performance sparse operators can be difficult and tedious, and existing vendor libraries cannot satisfy the escalating demands from new operators. Sparse tensor compilers simplify the development of operators, but efficient sparse compilation for deep learning remains challenging because a single sparse format cannot maximize hardware efficiency, and single-shot compilers cannot keep up with latest hardware and system advances. We show that the key to addressing both challenges is two forms of composability. In this paper, we propose SparseTIR, a sparse tensor compilation abstraction that offers composable formats and composable transformations for deep learning workloads. SparseTIR constructs a search space over these composable components for performance tuning. With these improvements, SparseTIR obtains consistent performance speedups vs vendor libraries on GPUs for single operators: 1.1-3.3x for GNN operators, 1.1-3.3x for sparse attention operators, and 0.6-2.2x for sparse convolution operators. SparseTIR also accelerates end-to-end GNNs by 1.1-2.2x for GraphSAGE training, and 4.2-16.8x for RGCN inference.  ( 2 min )

In this paper, we study the trace regression when a matrix of parameters B* is estimated via the convex relaxation of a rank-regularized regression or via regularized non-convex optimization. It is known that these estimators satisfy near-optimal error bounds under assumptions on the rank, coherence, and spikiness of B*. We start by introducing a general notion of spikiness for B* that provides a generic recipe to prove the restricted strong convexity of the sampling operator of the trace regression and obtain near-optimal and non-asymptotic error bounds for the estimation error. Similar to the existing literature, these results require the regularization parameter to be above a certain theory-inspired threshold that depends on observation noise that may be unknown in practice. Next, we extend the error bounds to cases where the regularization parameter is chosen via cross-validation. This result is significant in that existing theoretical results on cross-validated estimators (Kale et al., 2011; Kumar et al., 2013; Abou-Moustafa and Szepesvari, 2017) do not apply to our setting since the estimators we study are not known to satisfy their required notion of stability. Finally, using simulations on synthetic and real data, we show that the cross-validated estimator selects a near-optimal penalty parameter and outperforms the theory-inspired approach of selecting the parameter.  ( 2 min )

Graph Neural Networks (GNNs) that are based on the message passing (MP) paradigm generally exchange information between 1-hop neighbors to build node representations at each layer. In principle, such networks are not able to capture long-range interactions (LRI) that may be desired or necessary for learning a given task on graphs. Recently, there has been an increasing interest in development of Transformer-based methods for graphs that can consider full node connectivity beyond the original sparse structure, thus enabling the modeling of LRI. However, MP-GNNs that simply rely on 1-hop message passing often fare better in several existing graph benchmarks when combined with positional feature representations, among other innovations, hence limiting the perceived utility and ranking of Transformer-like architectures. Here, we present the Long Range Graph Benchmark (LRGB) with 5 graph learning datasets: PascalVOC-SP, COCO-SP, PCQM-Contact, Peptides-func and Peptides-struct that arguably require LRI reasoning to achieve strong performance in a given task. We benchmark both baseline GNNs and Graph Transformer networks to verify that the models which capture long-range dependencies perform significantly better on these tasks. Therefore, these datasets are suitable for benchmarking and exploration of MP-GNNs and Graph Transformer architectures that are intended to capture LRI.

Learning long-horizon tasks such as navigation has presented difficult challenges for successfully applying reinforcement learning. However, from another perspective, under a known environment model, methods such as sampling-based planning can robustly find collision-free paths in environments without learning. In this work, we propose Control Transformer which models return-conditioned sequences from low-level policies guided by a sampling-based Probabilistic Roadmap (PRM) planner. Once trained, we demonstrate that our framework can solve long-horizon navigation tasks using only local information. We evaluate our approach on partially-observed maze navigation with MuJoCo robots, including Ant, Point, and Humanoid, and show that Control Transformer can successfully navigate large mazes and generalize to new, unknown environments. Additionally, we apply our method to a differential drive robot (Turtlebot3) and show zero-shot sim2real transfer under noisy observations.  ( 2 min )

In statistical learning, many problem formulations have been proposed so far, such as multi-class learning, complementarily labeled learning, multi-label learning, multi-task learning, which provide theoretical models for various real-world tasks. Although they have been extensively studied, the relationship among them has not been fully investigated. In this work, we focus on a particular problem formulation called Multiple-Instance Learning (MIL), and show that various learning problems including all the problems mentioned above with some of new problems can be reduced to MIL with theoretically guaranteed generalization bounds, where the reductions are established under a new reduction scheme we provide as a by-product. The results imply that the MIL-reduction gives a simplified and unified framework for designing and analyzing algorithms for various learning problems. Moreover, we show that the MIL-reduction framework can be kernelized.  ( 2 min )

Genome-wide studies leveraging recent high-throughput sequencing technologies collect high-dimensional data. However, they usually include small cohorts of patients, and the resulting tabular datasets suffer from the "curse of dimensionality". Training neural networks on such datasets is typically unstable, and the models overfit. One problem is that modern weight initialisation strategies make simplistic assumptions unsuitable for small-size datasets. We propose Graph-Conditioned MLP, a novel method to introduce priors on the parameters of an MLP. Instead of randomly initialising the first layer, we condition it directly on the training data. More specifically, we create a graph for each feature in the dataset (e.g., a gene), where each node represents a sample from the same dataset (e.g., a patient). We then use Graph Neural Networks (GNNs) to learn embeddings from these graphs and use the embeddings to initialise the MLP's parameters. Our approach opens the prospect of introducing additional biological knowledge when constructing the graphs. We present early results on 7 classification tasks from gene expression data and show that GC-MLP outperforms an MLP.  ( 2 min )

With information systems becoming larger scale, recommendation systems are a topic of growing interest in machine learning research and industry. Even though progress on improving model design has been rapid in research, we argue that many advances fail to translate into practice because of two limiting assumptions. First, most approaches focus on a transductive learning setting which cannot handle unseen users or items and second, many existing methods are developed for static settings that cannot incorporate new data as it becomes available. We argue that these are largely impractical assumptions on real-world platforms where new user interactions happen in real time. In this survey paper, we formalize both concepts and contextualize recommender systems work from the last six years. We then discuss why and how future work should move towards inductive learning and incremental updates for recommendation model design and evaluation. In addition, we present best practices and fundamental open challenges for future research.  ( 2 min )

The dichotomy between the challenging nature of obtaining annotations for activities, and the more straightforward nature of data collection from wearables, has resulted in significant interest in the development of techniques that utilize large quantities of unlabeled data for learning representations. Contrastive Predictive Coding (CPC) is one such method, learning effective representations by leveraging properties of time-series data to setup a contrastive future timestep prediction task. In this work, we propose enhancements to CPC, by systematically investigating the encoder architecture, the aggregator network, and the future timestep prediction, resulting in a fully convolutional architecture, thereby improving parallelizability. Across sensor positions and activities, our method shows substantial improvements on four of six target datasets, demonstrating its ability to empower a wide range of application scenarios. Further, in the presence of very limited labeled data, our technique significantly outperforms both supervised and self-supervised baselines, positively impacting situations where collecting only a few seconds of labeled data may be possible. This is promising, as CPC does not require specialized data transformations or reconstructions for learning effective representations.

Partial differential equations (PDEs) fitting scientific data can represent physical laws with explainable mechanisms for various mathematically-oriented subjects. The data-driven discovery of PDEs from scientific data thrives as a new attempt to model complex phenomena in nature, but the effectiveness of current practice is typically limited by the scarcity of data and the complexity of phenomena. Especially, the discovery of PDEs with highly nonlinear coefficients from low-quality data remains largely under-addressed. To deal with this challenge, we propose a novel physics-guided learning method, which can not only encode observation knowledge such as initial and boundary conditions but also incorporate the basic physical principles and laws to guide the model optimization. We empirically demonstrate that the proposed method is more robust against data noise and sparsity, and can reduce the estimation error by a large margin; moreover, for the first time we are able to discover PDEs with highly nonlinear coefficients. With the promising performance, the proposed method pushes forward the boundary of the PDEs that can be found by machine learning models for scientific discovery.  ( 2 min )

In the past few years, Artificial Intelligence (AI) has garnered attention from various industries including financial services (FS). AI has made a positive impact in financial services by enhancing productivity and improving risk management. While AI can offer efficient solutions, it has the potential to bring unintended consequences. One such consequence is the pronounced effect of AI-related unfairness and attendant fairness-related harms. These fairness-related harms could involve differential treatment of individuals; for example, unfairly denying a loan to certain individuals or groups of individuals. In this paper, we focus on identifying and mitigating individual unfairness and leveraging some of the recently published techniques in this domain, especially as applicable to the credit adjudication use case. We also investigate the extent to which techniques for achieving individual fairness are effective at achieving group fairness. Our main contribution in this work is functionalizing a two-step training process which involves learning a fair similarity metric from a group sense using a small portion of the raw data and training an individually "fair" classifier using the rest of the data where the sensitive features are excluded. The key characteristic of this two-step technique is related to its flexibility, i.e., the fair metric obtained in the first step can be used with any other individual fairness algorithms in the second step. Furthermore, we developed a second metric (distinct from the fair similarity metric) to determine how fairly a model is treating similar individuals. We use this metric to compare a "fair" model against its baseline model in terms of their individual fairness value. Finally, some experimental results corresponding to the individual unfairness mitigation techniques are presented.  ( 3 min )

Sparsity promoting regularizers are widely used to impose low-complexity structure (e.g. l1-norm for sparsity) to the regression coefficients of supervised learning. In the realm of deterministic optimization, the sequence generated by iterative algorithms (such as proximal gradient descent) exhibit "finite activity identification", namely, they can identify the low-complexity structure in a finite number of iterations. However, most online algorithms (such as proximal stochastic gradient descent) do not have the property owing to the vanishing step-size and non-vanishing variance. In this paper, by combining with a screening rule, we show how to eliminate useless features of the iterates generated by online algorithms, and thereby enforce finite activity identification. One consequence is that when combined with any convergent online algorithm, sparsity properties imposed by the regularizer can be exploited for computational gains. Numerically, significant acceleration can be obtained.  ( 2 min )

Graph Neural Networks (GNNs) are deep learning models designed to process attributed graphs. GNNs can compute cluster assignments accounting both for the vertex features and for the graph topology. Existing GNNs for clustering are trained by optimizing an unsupervised minimum cut objective, which is approximated by a Spectral Clustering (SC) relaxation. SC offers a closed-form solution that, however, is not particularly useful for a GNN trained with gradient descent. Additionally, the SC relaxation is loose and yields overly smooth cluster assignments, which do not separate well the samples. We propose a GNN model that optimizes a tighter relaxation of the minimum cut based on graph total variation (GTV). Our model has two core components: i) a message-passing layer that minimizes the $\ell_1$ distance in the features of adjacent vertices, which is key to achieving sharp cluster transitions; ii) a loss function that minimizes the GTV in the cluster assignments while ensuring balanced partitions. By optimizing the proposed loss, our model can be self-trained to perform clustering. In addition, our clustering procedure can be used to implement graph pooling in deep GNN architectures for graph classification. Experiments show that our model outperforms other GNN-based approaches for clustering and graph pooling.  ( 2 min )

We introduce a family of interpretable machine learning models, with two broad additions: Linearised Additive Models (LAMs) which replace the ubiquitous logistic link function in General Additive Models (GAMs); and SubscaleHedge, an expert advice algorithm for combining base models trained on subsets of features called subscales. LAMs can augment any additive binary classification model equipped with a sigmoid link function. Moreover, they afford direct global and local attributions of additive components to the model output in probability space. We argue that LAMs and SubscaleHedge improve the interpretability of their base algorithms. Using rigorous null-hypothesis significance testing on a broad suite of financial modelling data, we show that our algorithms do not suffer from large performance penalties in terms of ROC-AUC and calibration.  ( 2 min )

Time-series data, such as unsteady pressure-sensitive paint (PSP) measurement data, may contain a significant amount of random noise. Thus, in this study, we investigated a noise-reduction method that combines multivariate singular spectrum analysis (MSSA) with low-dimensional data representation. MSSA is a state-space reconstruction technique that utilizes time-delay embedding, and the low-dimensional representation is achieved by projecting data onto the singular value decomposition (SVD) basis. The noise-reduction performance of the proposed method for unsteady PSP data, i.e., the projected MSSA, is compared with that of the truncated SVD method, one of the most employed noise-reduction methods. The result shows that the projected MSSA exhibits better performance in reducing random noise than the truncated SVD method. Additionally, in contrast to that of the truncated SVD method, the performance of the projected MSSA is less sensitive to the truncation rank. Furthermore, the projected MSSA achieves denoising effectively by extracting smooth trajectories in a state space from noisy input data. Expectedly, the projected MSSA will be effective for reducing random noise in not only PSP measurement data, but also various high-dimensional time-series data.  ( 2 min )

The generation of Chinese fonts has a wide range of applications. The currently predominated methods are mainly based on deep generative models, especially the generative adversarial networks (GANs). However, existing GAN-based models usually suffer from the well-known mode collapse problem. When mode collapse happens, the kind of GAN-based models will be failure to yield the correct fonts. To address this issue, we introduce a one-bit stroke encoding and a few-shot semi-supervised scheme (i.e., using a few paired data as semi-supervised information) to explore the local and global structure information of Chinese characters respectively, motivated by the intuition that strokes and characters directly embody certain local and global modes of Chinese characters. Based on these ideas, this paper proposes an effective model called \textit{StrokeGAN+}, which incorporates the stroke encoding and the few-shot semi-supervised scheme into the CycleGAN model. The effectiveness of the proposed model is demonstrated by amounts of experiments. Experimental results show that the mode collapse issue can be effectively alleviated by the introduced one-bit stroke encoding and few-shot semi-supervised training scheme, and that the proposed model outperforms the state-of-the-art models in fourteen font generation tasks in terms of four important evaluation metrics and the quality of generated characters. Besides CycleGAN, we also show that the proposed idea can be adapted to other existing models to improve their performance. The effectiveness of the proposed model for the zero-shot traditional Chinese font generation is also evaluated in this paper.  ( 2 min )

State-of-the-art performance for many emerging edge applications is achieved by deep neural networks (DNNs). Often, these DNNs are location and time sensitive, and the parameters of a specific DNN must be delivered from an edge server to the edge device rapidly and efficiently to carry out time-sensitive inference tasks. In this paper, we introduce AirNet, a novel training and transmission method that allows efficient wireless delivery of DNNs under stringent transmit power and latency constraints. We first train the DNN with noise injection to counter the wireless channel noise. Then we employ pruning to reduce the network size to the available channel bandwidth, and perform knowledge distillation from a larger model to achieve satisfactory performance, despite pruning. We show that AirNet achieves significantly higher test accuracy compared to digital alternatives under the same bandwidth and power constraints. The accuracy of the network at the receiver also exhibits graceful degradation with channel quality, which reduces the requirement for accurate channel estimation. We further improve the performance of AirNet by pruning the network below the available bandwidth, and using channel expansion to provide better robustness against channel noise. We also benefit from unequal error protection (UEP) by selectively expanding more important layers of the network. Finally, we develop an ensemble training approach, which trains a whole spectrum of DNNs, each of which can be used at different channel condition, resolving the impractical memory requirements.  ( 2 min )

Graph neural networks (GNNs) have been successfully applied to early mild cognitive impairment (EMCI) detection, with the usage of elaborately designed features constructed from blood oxygen level-dependent (BOLD) time series. However, few works explored the feasibility of using BOLD signals directly as features. Meanwhile, existing GNN-based methods primarily rely on hand-crafted explicit brain topology as the adjacency matrix, which is not optimal and ignores the implicit topological organization of the brain. In this paper, we propose a spatial temporal graph convolutional network with a novel graph structure self-learning mechanism for EMCI detection. The proposed spatial temporal graph convolution block directly exploits BOLD time series as input features, which provides an interesting view for rsfMRI-based preclinical AD diagnosis. Moreover, our model can adaptively learn the optimal topological structure and refine edge weights with the graph structure self-learning mechanism. Results on the Alzheimer's Disease Neuroimaging Initiative (ADNI) database show that our method outperforms state-of-the-art approaches. Biomarkers consistent with previous studies can be extracted from the model, proving the reliable interpretability of our method.  ( 2 min )

We present the development of a semi-supervised regression method using variational autoencoders (VAE), which is customized for use in soft sensing applications. We motivate the use of semi-supervised learning considering the fact that process quality variables are not collected at the same frequency as other process variables leading to many unlabelled records in operational datasets. These unlabelled records are not possible to use for training quality variable predictions based on supervised learning methods. Use of VAEs for unsupervised learning is well established and recently they were used for regression applications based on variational inference procedures. We extend this approach of supervised VAEs for regression (SVAER) to make it learn from unlabelled data leading to semi-supervised VAEs for regression (SSVAER), then we make further modifications to their architecture using additional regularization components to make SSVAER well suited for learning from both labelled and unlabelled process data. The probabilistic regressor resulting from the variational approach makes it possible to estimate the variance of the predictions simultaneously, which provides an uncertainty quantification along with the generated predictions. We provide an extensive comparative study of SSVAER with other publicly available semi-supervised and supervised learning methods on two benchmark problems using fixed-size datasets, where we vary the percentage of labelled data available for training. In these experiments, SSVAER achieves the lowest test errors in 11 of the 20 studied cases, compared to other methods where the second best gets 4 lowest test errors out of the 20.

The state-of-the-art dimensionality reduction approaches largely rely on complicated optimization procedures. On the other hand, closed-form approaches requiring merely eigen-decomposition do not have enough sophistication and nonlinearity. In this paper, we propose a novel nonlinear dimensionality reduction method -- Inverse Kernel Decomposition (IKD) -- based on an eigen-decomposition of the sample covariance matrix of data. The method is inspired by Gaussian process latent variable models (GPLVMs) and has comparable performance with GPLVMs. To deal with very noisy data with weak correlations, we propose two solutions -- blockwise and geodesic -- to make use of locally correlated data points and provide better and numerically more stable latent estimations. We use synthetic datasets and four real-world datasets to show that IKD is a better dimensionality reduction method than other eigen-decomposition-based methods, and achieves comparable performance against optimization-based methods with faster running speeds. Open-source IKD implementation in Python can be accessed at this \url{https://github.com/JerrySoybean/ikd}.

It would be useful for machines to use computers as humans do so that they can aid us in everyday tasks. This is a setting in which there is also the potential to leverage large-scale expert demonstrations and human judgements of interactive behaviour, which are two ingredients that have driven much recent success in AI. Here we investigate the setting of computer control using keyboard and mouse, with goals specified via natural language. Instead of focusing on hand-designed curricula and specialized action spaces, we focus on developing a scalable method centered on reinforcement learning combined with behavioural priors informed by actual human-computer interactions. We achieve state-of-the-art and human-level mean performance across all tasks within the MiniWob++ benchmark, a challenging suite of computer control problems, and find strong evidence of cross-task transfer. These results demonstrate the usefulness of a unified human-agent interface when training machines to use computers. Altogether our results suggest a formula for achieving competency beyond MiniWob++ and towards controlling computers, in general, as a human would.  ( 2 min )

Training Graph Neural Networks, on graphs containing billions of vertices and edges, at scale using minibatch sampling poses a key challenge: strong-scaling graphs and training examples results in lower compute and higher communication volume and potential performance loss. DistGNN-MB employs a novel Historical Embedding Cache combined with compute-communication overlap to address this challenge. On a 32-node (64-socket) cluster of $3^{rd}$ generation Intel Xeon Scalable Processors with 36 cores per socket, DistGNN-MB trains 3-layer GraphSAGE and GAT models on OGBN-Papers100M to convergence with epoch times of 2 seconds and 4.9 seconds, respectively, on 32 compute nodes. At this scale, DistGNN-MB trains GraphSAGE 5.2x faster than the widely-used DistDGL. DistGNN-MB trains GraphSAGE and GAT 10x and 17.2x faster, respectively, as compute nodes scale from 2 to 32.  ( 2 min )

We consider the random feature ridge regression (RFRR) given by a two-layer neural network at random initialization. We study the non-asymptotic behaviors of the training error, cross-validations, and generalization error of RFRR with nearly orthogonal deterministic input data in the overparameterized regime, where the number of parameters $N$ is much larger than the sample size $n$. We respectively establish the concentrations of the training errors, cross-validations, and generalization errors of RFRR around their corresponding errors of kernel ridge regression (KRR). This KRR is defined by an expected kernel from a random feature map. We then approximate the performances of the KRR by a polynomial kernel matrix, whose degree only depends on the orthogonality among different input vectors. The degree of this polynomial kernel essentially determines the asymptotic behavior of RFRR and KRR. Our results hold for a general class of target functions and input data with weak approximate orthonormal properties among different data points. Based on these approximations and nearly orthogonality, we obtain a lower bound for the generalization error of RFRR.  ( 2 min )

Given a symmetric matrix $M$ and a vector $\lambda$, we present new bounds on the Frobenius-distance utility of the Gaussian mechanism for approximating $M$ by a matrix whose spectrum is $\lambda$, under $(\varepsilon,\delta)$-differential privacy. Our bounds depend on both $\lambda$ and the gaps in the eigenvalues of $M$, and hold whenever the top $k+1$ eigenvalues of $M$ have sufficiently large gaps. When applied to the problems of private rank-$k$ covariance matrix approximation and subspace recovery, our bounds yield improvements over previous bounds. Our bounds are obtained by viewing the addition of Gaussian noise as a continuous-time matrix Brownian motion. This viewpoint allows us to track the evolution of eigenvalues and eigenvectors of the matrix, which are governed by stochastic differential equations discovered by Dyson. These equations allow us to bound the utility as the square-root of a sum-of-squares of perturbations to the eigenvectors, as opposed to a sum of perturbation bounds obtained via Davis-Kahan-type theorems.  ( 2 min )

With the rapid development of the speech synthesis system, recent text-to-speech models have reached the level of generating natural speech similar to what humans say. But there still have limitations in terms of expressiveness. In particular, the existing emotional speech synthesis models have shown controllability using interpolated features with scaling parameters in emotional latent space. However, the emotional latent space generated from the existing models is difficult to control the continuous emotional intensity because of the entanglement of features like emotions, speakers, etc. In this paper, we propose a novel method to control the continuous intensity of emotions using semi-supervised learning. The model learns emotions of intermediate intensity using pseudo-labels generated from phoneme-level sequences of speech information. An embedding space built from the proposed model satisfies the uniform grid geometry with an emotional basis. In addition, to improve the naturalness of intermediate emotional speech, a discriminator is applied to the generation of low-level elements like duration, pitch and energy. The experimental results showed that the proposed method was superior in controllability and naturalness. The synthesized speech samples are available at https://tinyurl.com/34zaehh2  ( 2 min )

Double-blind peer review mechanism has become the skeleton of academic research across multiple disciplines including computer science, yet several studies have questioned the quality of peer reviews and raised concerns on potential biases in the process. In this paper, we conduct a thorough and rigorous study on fairness disparities in peer review with the help of large language models (LMs). We collect, assemble, and maintain a comprehensive relational database for the International Conference on Learning Representations (ICLR) conference from 2017 to date by aggregating data from OpenReview, Google Scholar, arXiv, and CSRanking, and extracting high-level features using language models. We postulate and study fairness disparities on multiple protective attributes of interest, including author gender, geography, author, and institutional prestige. We observe that the level of disparity differs and textual features are essential in reducing biases in the predictive modeling. We distill several insights from our analysis on study the peer review process with the help of large LMs. Our database also provides avenues for studying new natural language processing (NLP) methods that facilitate the understanding of the peer review mechanism. We study a concrete example towards automatic machine review systems and provide baseline models for the review generation and scoring tasks such that the database can be used as a benchmark.  ( 2 min )

Session-Based Recommenders (SBRs) aim to predict users' next preferences regard to their previous interactions in sessions while there is no historical information about them. Modern SBRs utilize deep neural networks to map users' current interest(s) during an ongoing session to a latent space so that their next preference can be predicted. Although state-of-art SBR models achieve satisfactory results, most focus on studying the sequence of events inside sessions while ignoring temporal details of those events. In this paper, we examine the potential of session temporal information in enhancing the performance of SBRs, conceivably by reflecting the momentary interests of anonymous users or their mindset shifts during sessions. We propose the STAR framework, which utilizes the time intervals between events within sessions to construct more informative representations for items and sessions. Our mechanism revises session representation by embedding time intervals without employing discretization. Empirical results on Yoochoose and Diginetica datasets show that the suggested method outperforms the state-of-the-art baseline models in Recall and MRR criteria.  ( 2 min )

To offer accurate and diverse recommendation services, recent methods use auxiliary information to foster the learning process of user and item representations. Many SOTA methods fuse different sources of information (user, item, knowledge graph, tags, etc.) into a graph and use Graph Neural Networks to introduce the auxiliary information through the message passing paradigm. In this work, we seek an alternative framework that is light and effective through self-supervised learning across different sources of information, particularly for the commonly accessible item tag information. We use a self-supervision signal to pair users with the auxiliary information associated with the items they have interacted with before. To achieve the pairing, we create a proxy training task. For a given item, the model predicts the correct pairing between the representations obtained from the users that have interacted with this item and the assigned tags. This design provides an efficient solution, using the auxiliary information directly to enhance the quality of user and item embeddings. User behavior in recommendation systems is driven by the complex interactions of many factors behind the decision-making processes. To make the pairing process more fine-grained and avoid embedding collapse, we propose an intent-aware self-supervised pairing process where we split the user embeddings into multiple sub-embedding vectors. Each sub-embedding vector captures a specific user intent via self-supervised alignment with a particular cluster of tags. We integrate our designed framework with various recommendation models, demonstrating its flexibility and compatibility. Through comparison with numerous SOTA methods on seven real-world datasets, we show that our method can achieve better performance while requiring less training time. This indicates the potential of applying our approach on web-scale datasets.  ( 2 min )

In today's data-driven society, supervised machine learning is rapidly evolving, and the need for labeled data is increasing. However, the process of acquiring labels is often expensive and tedious. For this reason, we developed ALANNO, an open-source annotation system for NLP tasks powered by active learning. We focus on the practical challenges in deploying active learning systems and try to find solutions to make active learning effective in real-world applications. We support the system with a wealth of active learning methods and underlying machine learning models. In addition, we leave open the possibility to add new methods, which makes the platform useful for both high-quality data annotation and research purposes.  ( 2 min )

Gaussian process training decomposes into inference of the (approximate) posterior and learning of the hyperparameters. For non-Gaussian (non-conjugate) likelihoods, two common choices for approximate inference are Expectation Propagation (EP) and Variational Inference (VI), which have complementary strengths and weaknesses. While VI's lower bound to the marginal likelihood is a suitable objective for inferring the approximate posterior, it does not automatically imply it is a good learning objective for hyperparameter optimization. We design a hybrid training procedure where the inference leverages conjugate-computation VI and the learning uses an EP-like marginal likelihood approximation. We empirically demonstrate on binary classification that this provides a good learning objective and generalizes better.  ( 2 min )

The problem of learning threshold functions is a fundamental one in machine learning. Classical learning theory implies sample complexity of $O(\xi^{-1} \log(1/\beta))$ (for generalization error $\xi$ with confidence $1-\beta$). The private version of the problem, however, is more challenging and in particular, the sample complexity must depend on the size $|X|$ of the domain. Progress on quantifying this dependence, via lower and upper bounds, was made in a line of works over the past decade. In this paper, we finally close the gap for approximate-DP and provide a nearly tight upper bound of $\tilde{O}(\log^* |X|)$, which matches a lower bound by Alon et al (that applies even with improper learning) and improves over a prior upper bound of $\tilde{O}((\log^* |X|)^{1.5})$ by Kaplan et al. We also provide matching upper and lower bounds of $\tilde{\Theta}(2^{\log^*|X|})$ for the additive error of private quasi-concave optimization (a related and more general problem). Our improvement is achieved via the novel Reorder-Slice-Compute paradigm for private data analysis which we believe will have further applications.  ( 2 min )

Hierarchical decomposition of control is unavoidable in large dynamical systems. In reinforcement learning (RL), it is usually solved with subgoals defined at higher policy levels and achieved at lower policy levels. Reaching these goals can take a substantial amount of time, during which it is not verified whether they are still worth pursuing. However, due to the randomness of the environment, these goals may become obsolete. In this paper, we address this gap in the state-of-the-art approaches and propose a method in which the validity of higher-level actions (thus lower-level goals) is constantly verified at the higher level. If the actions, i.e. lower level goals, become inadequate, they are replaced by more appropriate ones. This way we combine the advantages of hierarchical RL, which is fast training, and flat RL, which is immediate reactivity. We study our approach experimentally on seven benchmark environments.  ( 2 min )

Biases have marked medical history, leading to unequal care affecting marginalised groups. The patterns of missingness in observational data often reflect these group discrepancies, but the algorithmic fairness implications of group-specific missingness are not well understood. Despite its potential impact, imputation is too often an overlooked preprocessing step. When explicitly considered, attention is placed on overall performance, ignoring how this preprocessing can reinforce group-specific inequities. Our work questions this choice by studying how imputation affects downstream algorithmic fairness. First, we provide a structured view of the relationship between clinical presence mechanisms and group-specific missingness patterns. Then, through simulations and real-world experiments, we demonstrate that the imputation choice influences marginalised group performance and that no imputation strategy consistently reduces disparities. Importantly, our results show that current practices may endanger health equity as similarly performing imputation strategies at the population level can affect marginalised groups differently. Finally, we propose recommendations for mitigating inequities that may stem from a neglected step of the machine learning pipeline.  ( 2 min )

Agriculture is at the heart of the solution to achieve sustainability in feeding the world population, but advancing our understanding on how agricultural output responds to climatic variability is still needed. Precision Agriculture (PA), which is a management strategy that uses technology such as remote sensing, Geographical Information System (GIS), and machine learning for decision making in the field, has emerged as a promising approach to enhance crop production, increase yield, and reduce water and nutrient losses and environmental impacts. In this context, multiple models to predict agricultural phenotypes, such as crop yield, from genomics (G), environment (E), weather and soil, and field management practices (M) have been developed. These models have traditionally been based on mechanistic or statistical approaches. However, AI approaches are intrinsically well-suited to model complex interactions and have more recently been developed, outperforming classical methods. Here, we present a Natural Language Processing (NLP)-based neural network architecture to process the G, E and M inputs and their interactions. We show that by modeling DNA as natural language, our approach performs better than previous approaches when tested for new environments and similarly to other approaches for unseen seed varieties.  ( 2 min )

In this paper, we seek to measure how much information a component in a neural network could extract from the representations fed into it. Our work stands in contrast to prior probing work, most of which investigates how much information a model's representations contain. This shift in perspective leads us to propose a new principle for probing, the architectural bottleneck principle: In order to estimate how much information a given component could extract, a probe should look exactly like the component. Relying on this principle, we estimate how much syntactic information is available to transformers through our attentional probe, a probe that exactly resembles a transformer's self-attention head. Experimentally, we find that, in three models (BERT, ALBERT, and RoBERTa), a sentence's syntax tree is mostly extractable by our probe, suggesting these models have access to syntactic information while composing their contextual representations. Whether this information is actually used by these models, however, remains an open question.  ( 2 min )

In recent years, advances in deep learning have resulted in a plethora of successes in the use of reinforcement learning (RL) to solve complex sequential decision tasks with high-dimensional inputs. However, existing systems lack the necessary mechanisms to provide humans with a holistic view of their competence, presenting an impediment to their adoption, particularly in critical applications where the decisions an agent makes can have significant consequences. Yet, existing RL-based systems are essentially competency-unaware in that they lack the necessary interpretation mechanisms to allow human operators to have an insightful, holistic view of their competency. In this paper, we extend a recently-proposed framework for explainable RL that is based on analyses of "interestingness." Our new framework provides various measures of RL agent competence stemming from interestingness analysis and is applicable to a wide range of RL algorithms. We also propose novel mechanisms for assessing RL agents' competencies that: 1) identify agent behavior patterns and competency-controlling conditions by clustering agent behavior traces solely using interestingness data; and 2) identify the task elements mostly responsible for an agent's behavior, as measured through interestingness, by performing global and local analyses using SHAP values. Overall, our tools provide insights about RL agent competence, both their capabilities and limitations, enabling users to make more informed decisions about interventions, additional training, and other interactions in collaborative human-machine settings.  ( 2 min )

Kernel methods provide a flexible and theoretically grounded approach to nonlinear and nonparametric learning. While memory requirements hinder their applicability to large datasets, many approximate solvers were recently developed for scaling up kernel methods, such as random Fourier features. However, these scalable approaches are based on approximations of isotropic kernels, which are incapable of removing the influence of possibly irrelevant features. In this work, we design random Fourier features for automatic relevance determination kernels, widely used for variable selection, and propose a new method based on joint optimization of the kernel machine parameters and the kernel relevances. Additionally, we present a new optimization algorithm that efficiently tackles the resulting objective function, which is non-convex. Numerical validation on synthetic and real-world data shows that our approach achieves low prediction error and effectively identifies relevant predictors. Our solution is modular and uses the PyTorch framework.  ( 2 min )

Through solving pretext tasks, self-supervised learning leverages unlabeled data to extract useful latent representations replacing traditional input features in the downstream task. In audio/speech signal processing, a wide range of features where engineered through decades of research efforts. As it turns out, learning to predict such features (a.k.a pseudo-labels) has proven to be a particularly relevant pretext task, leading to useful self-supervised representations which prove to be effective for downstream tasks. However, methods and common practices for combining such pretext tasks for better performance on the downstream task have not been explored and understood properly. In fact, the process relies almost exclusively on a computationally heavy experimental procedure, which becomes intractable with the increase of the number of pretext tasks. This paper introduces a method to select a group of pretext tasks among a set of candidates. The method we propose estimates calibrated weights for the partial losses corresponding to the considered pretext tasks during the self-supervised training process. The experiments conducted on automatic speech recognition, speaker and emotion recognition validate our approach, as the groups selected and weighted with our method perform better than classic baselines, thus facilitating the selection and combination of relevant pseudo-labels for self-supervised representation learning.  ( 2 min )

Safety-critical applications like autonomous driving use Deep Neural Networks (DNNs) for object detection and segmentation. The DNNs fail to predict when they observe an Out-of-Distribution (OOD) input leading to catastrophic consequences. Existing OOD detection methods were extensively studied for image inputs but have not been explored much for LiDAR inputs. So in this study, we proposed two datasets for benchmarking OOD detection in 3D semantic segmentation. We used Maximum Softmax Probability and Entropy scores generated using Deep Ensembles and Flipout versions of RandLA-Net as OOD scores. We observed that Deep Ensembles out perform Flipout model in OOD detection with greater AUROC scores for both datasets.  ( 2 min )

Actively monitoring machine learning models during production operations helps ensure prediction quality and detection and remediation of unexpected or undesired conditions. Monitoring models already deployed in big data environments brings the additional challenges of adding monitoring in parallel to the existing modelling workflow and controlling resource requirements. In this paper, we describe (1) a framework for monitoring machine learning models; and, (2) its implementation for a big data supply chain application. We use our implementation to study drift in model features, predictions, and performance on three real data sets. We compare hypothesis test and information theoretic approaches to drift detection in features and predictions using the Kolmogorov-Smirnov distance and Bhattacharyya coefficient. Results showed that model performance was stable over the evaluation period. Features and predictions showed statistically significant drifts; however, these drifts were not linked to changes in model performance during the time of our study.  ( 2 min )

We investigate the efficacy of treating all the parameters in a Bayesian neural network stochastically and find compelling theoretical and empirical evidence that this standard construction may be unnecessary. To this end, we prove that expressive predictive distributions require only small amounts of stochasticity. In particular, partially stochastic networks with only $n$ stochastic biases are universal probabilistic predictors for $n$-dimensional predictive problems. In empirical investigations, we find no systematic benefit of full stochasticity across four different inference modalities and eight datasets; partially stochastic networks can match and sometimes even outperform fully stochastic networks, despite their reduced memory costs.  ( 2 min )

Advances in reinforcement learning (RL) often rely on massive compute resources and remain notoriously sample inefficient. In contrast, the human brain is able to efficiently learn effective control strategies using limited resources. This raises the question whether insights from neuroscience can be used to improve current RL methods. Predictive processing is a popular theoretical framework which maintains that the human brain is actively seeking to minimize surprise. We show that recurrent neural networks which predict their own sensory states can be leveraged to minimise surprise, yielding substantial gains in cumulative reward. Specifically, we present the Predictive Processing Proximal Policy Optimization (P4O) agent; an actor-critic reinforcement learning agent that applies predictive processing to a recurrent variant of the PPO algorithm by integrating a world model in its hidden state. P4O significantly outperforms a baseline recurrent variant of the PPO algorithm on multiple Atari games using a single GPU. It also outperforms other state-of-the-art agents given the same wall-clock time and exceeds human gamer performance on multiple games including Seaquest, which is a particularly challenging environment in the Atari domain. Altogether, our work underscores how insights from the field of neuroscience may support the development of more capable and efficient artificial agents.  ( 2 min )

Building trustworthy, effective, and responsible machine learning systems hinges on understanding how differences in training data and modeling decisions interact to impact predictive performance. In this work, we seek to better understand how we might characterize, detect, and design for data-model synergies. We focus on a particular type of data-model inefficiency, in which adding training data from some sources can actually lower performance evaluated on key sub-groups of the population, a phenomenon we refer to as negative data externalities on group performance. Such externalities can arise in standard learning settings and can manifest differently depending on conditions between training set size and model size. Data externalities directly imply a lower bound on feasible model improvements, yet improving models efficiently requires understanding the underlying data-model tensions. From a broader perspective, our results indicate that data-efficiency is a key component of both accurate and trustworthy machine learning.  ( 2 min )

The increased importance of mobile photography created a need for fast and performant RAW image processing pipelines capable of producing good visual results in spite of the mobile camera sensor limitations. While deep learning-based approaches can efficiently solve this problem, their computational requirements usually remain too large for high-resolution on-device image processing. To address this limitation, we propose a novel PyNET-V2 Mobile CNN architecture designed specifically for edge devices, being able to process RAW 12MP photos directly on mobile phones under 1.5 second and producing high perceptual photo quality. To train and to evaluate the performance of the proposed solution, we use the real-world Fujifilm UltraISP dataset consisting on thousands of RAW-RGB image pairs captured with a professional medium-format 102MP Fujifilm camera and a popular Sony mobile camera sensor. The results demonstrate that the PyNET-V2 Mobile model can substantially surpass the quality of tradition ISP pipelines, while outperforming the previously introduced neural network-based solutions designed for fast image processing. Furthermore, we show that the proposed architecture is also compatible with the latest mobile AI accelerators such as NPUs or APUs that can be used to further reduce the latency of the model to as little as 0.5 second. The dataset, code and pre-trained models used in this paper are available on the project website: https://github.com/gmalivenko/PyNET-v2  ( 2 min )

Continuous pseudo-labeling (PL) algorithms such as slimIPL have recently emerged as a powerful strategy for semi-supervised learning in speech recognition. In contrast with earlier strategies that alternated between training a model and generating pseudo-labels (PLs) with it, here PLs are generated in end-to-end manner as training proceeds, improving training speed and the accuracy of the final model. PL shares a common theme with teacher-student models such as distillation in that a teacher model generates targets that need to be mimicked by the student model being trained. However, interestingly, PL strategies in general use hard-labels, whereas distillation uses the distribution over labels as the target to mimic. Inspired by distillation we expect that specifying the whole distribution (aka soft-labels) over sequences as the target for unlabeled data, instead of a single best pass pseudo-labeled transcript (hard-labels) should improve PL performance and convergence. Surprisingly and unexpectedly, we find that soft-labels targets can lead to training divergence, with the model collapsing to a degenerate token distribution per frame. We hypothesize that the reason this does not happen with hard-labels is that training loss on hard-labels imposes sequence-level consistency that keeps the model from collapsing to the degenerate solution. In this paper, we show several experiments that support this hypothesis, and experiment with several regularization approaches that can ameliorate the degenerate collapse when using soft-labels. These approaches can bring the accuracy of soft-labels closer to that of hard-labels, and while they are unable to outperform them yet, they serve as a useful framework for further improvements.  ( 2 min )

This paper considers the problem of data-driven prediction of partially observed systems using a recurrent neural network. While neural network based dynamic predictors perform well with full-state training data, prediction with partial observation during training phase poses a significant challenge. Here a predictor for partial observations is developed using an echo-state network (ESN) and time delay embedding of the partially observed state. The proposed method is theoretically justified with Taken's embedding theorem and strong observability of a nonlinear system. The efficacy of the proposed method is demonstrated on three systems: two synthetic datasets from chaotic dynamical systems and a set of real-time traffic data.  ( 2 min )

We introduce KPI-Check, a novel system that automatically identifies and cross-checks semantically equivalent key performance indicators (KPIs), e.g. "revenue" or "total costs", in real-world German financial reports. It combines a financial named entity and relation extraction module with a BERT-based filtering and text pair classification component to extract KPIs from unstructured sentences before linking them to synonymous occurrences in the balance sheet and profit & loss statement. The tool achieves a high matching performance of $73.00$% micro F$_1$ on a hold out test set and is currently being deployed for a globally operating major auditing firm to assist the auditing procedure of financial statements.  ( 2 min )

The fact that we can build models from data, and therefore refine our models with more data from experiments, is usually given for granted in scientific inquiry. However, how much information can we extract, and how precise can we expect our learned model to be, if we have only a finite amount of data at our disposal? Nuclear physics demands an high degree of precision from models that are inferred from the limited number of nuclei that can be possibly made in the laboratories. In manuscript I will introduce some concepts of computational science, such as statistical theory of learning and Hamiltonian complexity, and use them to contextualise the results concerning the amount of data necessary to extrapolate a mass model to a given precision.  ( 2 min )

Radar, the only sensor that could provide reliable perception capability in all weather conditions at an affordable cost, has been widely accepted as a key supplement to camera and LiDAR in modern advanced driver assistance systems (ADAS) and autonomous driving systems. Recent state-of-the-art works reveal that fusion of radar and LiDAR can lead to robust detection in adverse weather, such as fog. However, these methods still suffer from low accuracy of bounding box estimations. This paper proposes a bird's-eye view (BEV) fusion learning for an anchor box-free object detection system, which uses the feature derived from the radar range-azimuth heatmap and the LiDAR point cloud to estimate the possible objects. Different label assignment strategies have been designed to facilitate the consistency between the classification of foreground or background anchor points and the corresponding bounding box regressions. Furthermore, the performance of the proposed object detector can be further enhanced by employing a novel interactive transformer module. We demonstrated the superior performance of the proposed methods in this paper using the recently published Oxford Radar RobotCar (ORR) dataset. We showed that the accuracy of our system significantly outperforms the other state-of-the-art methods by a large margin.  ( 2 min )

Solving real-world sequential manipulation tasks requires robots to have a repertoire of skills applicable to a wide range of circumstances. To acquire such skills using data-driven approaches, we need massive and diverse training data which is often labor-intensive and non-trivial to collect and curate. In this work, we introduce Active Task Randomization (ATR), an approach that learns visuomotor skills for sequential manipulation by automatically creating feasible and novel tasks in simulation. During training, our approach procedurally generates tasks using a graph-based task parameterization. To adaptively estimate the feasibility and novelty of sampled tasks, we develop a relational neural network that maps each task parameter into a compact embedding. We demonstrate that our approach can automatically create suitable tasks for efficiently training the skill policies to handle diverse scenarios with a variety of objects. We evaluate our method on simulated and real-world sequential manipulation tasks by composing the learned skills using a task planner. Compared to baseline methods, the skills learned using our approach consistently achieve better success rates.  ( 2 min )

Chest X-ray (CXR) datasets hosted on Kaggle, though useful from a data science competition standpoint, have limited utility in clinical use because of their narrow focus on diagnosing one specific disease. In real-world clinical use, multiple diseases need to be considered since they can co-exist in the same patient. In this work, we demonstrate how federated learning (FL) can be used to make these toy CXR datasets from Kaggle clinically useful. Specifically, we train a single FL classification model (`global`) using two separate CXR datasets -- one annotated for presence of pneumonia and the other for presence of pneumothorax (two common and life-threatening conditions) -- capable of diagnosing both. We compare the performance of the global FL model with models trained separately on both datasets (`baseline`) for two different model architectures. On a standard, naive 3-layer CNN architecture, the global FL model achieved AUROC of 0.84 and 0.81 for pneumonia and pneumothorax, respectively, compared to 0.85 and 0.82, respectively, for both baseline models (p>0.05). Similarly, on a pretrained DenseNet121 architecture, the global FL model achieved AUROC of 0.88 and 0.91 for pneumonia and pneumothorax, respectively, compared to 0.89 and 0.91, respectively, for both baseline models (p>0.05). Our results suggest that FL can be used to create global `meta` models to make toy datasets from Kaggle clinically useful, a step forward towards bridging the gap from bench to bedside.  ( 2 min )

Despite the immense success of neural networks in modeling system dynamics from data, they often remain physics-agnostic black boxes. In the particular case of physical systems, they might consequently make physically inconsistent predictions, which makes them unreliable in practice. In this paper, we leverage the framework of Irreversible port-Hamiltonian Systems (IPHS), which can describe most multi-physics systems, and rely on Neural Ordinary Differential Equations (NODEs) to learn their parameters from data. Since IPHS models are consistent with the first and second principles of thermodynamics by design, so are the proposed Physically Consistent NODEs (PC-NODEs). Furthermore, the NODE training procedure allows us to seamlessly incorporate prior knowledge of the system properties in the learned dynamics. We demonstrate the effectiveness of the proposed method by learning the thermodynamics of a building from the real-world measurements and the dynamics of a simulated gas-piston system. Thanks to the modularity and flexibility of the IPHS framework, PC-NODEs can be extended to learn physically consistent models of multi-physics distributed systems.  ( 2 min )

Masked image modelling (e.g., Masked AutoEncoder) and contrastive learning (e.g., Momentum Contrast) have shown impressive performance on unsupervised visual representation learning. This work presents Masked Contrastive Representation Learning (MACRL) for self-supervised visual pre-training. In particular, MACRL leverages the effectiveness of both masked image modelling and contrastive learning. We adopt an asymmetric setting for the siamese network (i.e., encoder-decoder structure in both branches), where one branch with higher mask ratio and stronger data augmentation, while the other adopts weaker data corruptions. We optimize a contrastive learning objective based on the learned features from the encoder in both branches. Furthermore, we minimize the $L_1$ reconstruction loss according to the decoders' outputs. In our experiments, MACRL presents superior results on various vision benchmarks, including CIFAR-10, CIFAR-100, Tiny-ImageNet, and two other ImageNet subsets. Our framework provides unified insights on self-supervised visual pre-training and future research.  ( 2 min )

Keyless entry systems in cars are adopting neural networks for localizing its operators. Using test-time adversarial defences equip such systems with the ability to defend against adversarial attacks without prior training on adversarial samples. We propose a test-time adversarial example detector which detects the input adversarial example through quantifying the localized intermediate responses of a pre-trained neural network and confidence scores of an auxiliary softmax layer. Furthermore, in order to make the network robust, we extenuate the non-relevant features by non-iterative input sample clipping. Using our approach, mean performance over 15 levels of adversarial perturbations is increased by 55.33% for the fast gradient sign method (FGSM) and 6.3% for both the basic iterative method (BIM) and the projected gradient method (PGD).  ( 2 min )

Principal Component Analysis (PCA) and its exponential family extensions have three components: observations, latents and parameters of a linear transformation. We consider a generalised setting where the canonical parameters of the exponential family are a nonlinear transformation of the latents. We show explicit relationships between particular neural network architectures and the corresponding statistical models. We find that deep equilibrium models -- a recently introduced class of implicit neural networks -- solve maximum a-posteriori (MAP) estimates for the latents and parameters of the transformation. Our analysis provides a systematic way to relate activation functions, dropout, and layer structure, to statistical assumptions about the observations, thus providing foundational principles for unsupervised DEQs. For hierarchical latents, individual neurons can be interpreted as nodes in a deep graphical model. Our DEQ feature maps are end-to-end differentiable, enabling fine-tuning for downstream tasks.  ( 2 min )

Humans exhibit disagreement during data labeling. We term this disagreement as human label uncertainty. In this work, we study the ramifications of human label uncertainty (HLU). Our evaluation of existing uncertainty estimation algorithms, with the presence of HLU, indicates the limitations of existing uncertainty metrics and algorithms themselves in response to HLU. Meanwhile, we observe undue effects in predictive uncertainty and generalizability. To mitigate the undue effects, we introduce a novel natural scene statistics (NSS) based label dilution training scheme without requiring massive human labels. Specifically, we first select a subset of samples with low perceptual quality ranked by statistical regularities of images. We then assign separate labels to each sample in this subset to obtain a training set with diluted labels. Our experiments and analysis demonstrate that training with NSS-based label dilution alleviates the undue effects caused by HLU.  ( 2 min )

Large language models trained for code generation can be applied to speaking virtual worlds into existence (creating virtual worlds). In this work we show that prompt-based methods can both accelerate in-VR level editing, as well as can become part of gameplay rather than just part of game development. As an example, we present Codex VR Pong which shows non-deterministic game mechanics using generative processes to not only create static content but also non-trivial interactions between 3D objects. This demonstration naturally leads to an integral discussion on how one would evaluate and benchmark experiences created by generative models - as there are no qualitative or quantitative metrics that apply in these scenarios. We conclude by discussing impending challenges of AI-assisted co-creation in VR.  ( 2 min )

Labeling a module defective or non-defective is an expensive task. Hence, there are often limits on how much-labeled data is available for training. Semi-supervised classifiers use far fewer labels for training models, but there are numerous semi-supervised methods, including self-labeling, co-training, maximal-margin, and graph-based methods, to name a few. Only a handful of these methods have been tested in SE for (e.g.) predicting defects and even that, those tests have been on just a handful of projects. This paper takes a wide range of 55 semi-supervised learners and applies these to over 714 projects. We find that semi-supervised "co-training methods" work significantly better than other approaches. However, co-training needs to be used with caution since the specific choice of co-training methods needs to be carefully selected based on a user's specific goals. Also, we warn that a commonly-used co-training method ("multi-view"-- where different learners get different sets of columns) does not improve predictions (while adding too much to the run time costs 11 hours vs. 1.8 hours). Those cautions stated, we find using these "co-trainers," we can label just 2.5% of data, then make predictions that are competitive to those using 100% of the data. It is an open question worthy of future work to test if these reductions can be seen in other areas of software analytics. All the codes used and datasets analyzed during the current study are available in the https://GitHub.com/Suvodeep90/Semi_Supervised_Methods.  ( 2 min )

In neural architecture search (NAS) methods based on latent space optimization (LSO), a deep generative model is trained to embed discrete neural architectures into a continuous latent space. In this case, different optimization algorithms that operate in the continuous space can be implemented to search neural architectures. However, the optimization of latent variables is challenging for gradient-based LSO since the mapping from the latent space to the architecture performance is generally non-convex. To tackle this problem, this paper develops a convexity regularized latent space optimization (CR-LSO) method, which aims to regularize the learning process of latent space in order to obtain a convex architecture performance mapping. Specifically, CR-LSO trains a graph variational autoencoder (G-VAE) to learn the continuous representations of discrete architectures. Simultaneously, the learning process of latent space is regularized by the guaranteed convexity of input convex neural networks (ICNNs). In this way, the G-VAE is forced to learn a convex mapping from the architecture representation to the architecture performance. Hereafter, the CR-LSO approximates the performance mapping using the ICNN and leverages the estimated gradient to optimize neural architecture representations. Experimental results on three popular NAS benchmarks show that CR-LSO achieves competitive evaluation results in terms of both computational complexity and architecture performance.  ( 2 min )

Physically based rendering of complex scenes can be prohibitively costly with a potentially unbounded and uneven distribution of complexity across the rendered image. The goal of an ideal level of detail (LoD) method is to make rendering costs independent of the 3D scene complexity, while preserving the appearance of the scene. However, current prefiltering LoD methods are limited in the appearances they can support due to their reliance of approximate models and other heuristics. We propose the first comprehensive multi-scale LoD framework for prefiltering 3D environments with complex geometry and materials (e.g., the Disney BRDF), while maintaining the appearance with respect to the ray-traced reference. Using a multi-scale hierarchy of the scene, we perform a data-driven prefiltering step to obtain an appearance phase function and directional coverage mask at each scale. At the heart of our approach is a novel neural representation that encodes this information into a compact latent form that is easy to decode inside a physically based renderer. Once a scene is baked out, our method requires no original geometry, materials, or textures at render time. We demonstrate that our approach compares favorably to state-of-the-art prefiltering methods and achieves considerable savings in memory for complex scenes.  ( 2 min )

The compositionality and sparsity of high-throughput sequencing data poses a challenge for regression and classification. However, in microbiome research in particular, conditional modeling is an essential tool to investigate relationships between phenotypes and the microbiome. Existing techniques are often inadequate: they either rely on extensions of the linear log-contrast model (which adjusts for compositionality, but is often unable to capture useful signals), or they are based on black-box machine learning methods (which may capture useful signals, but ignore compositionality in downstream analyses). We propose KernelBiome, a kernel-based nonparametric regression and classification framework for compositional data. It is tailored to sparse compositional data and is able to incorporate prior knowledge, such as phylogenetic structure. KernelBiome captures complex signals, including in the zero-structure, while automatically adapting model complexity. We demonstrate on par or improved predictive performance compared with state-of-the-art machine learning methods. Additionally, our framework provides two key advantages: (i) We propose two novel quantities to interpret contributions of individual components and prove that they consistently estimate average perturbation effects of the conditional mean, extending the interpretability of linear log-contrast models to nonparametric models. (ii) We show that the connection between kernels and distances aids interpretability and provides a data-driven embedding that can augment further analysis. Finally, we apply the KernelBiome framework to two public microbiome studies and illustrate the proposed model analysis. KernelBiome is available as an open-source Python package at https://github.com/shimenghuang/KernelBiome.

For a $d$-dimensional log-concave distribution $\pi(\theta) \propto e^{-f(\theta)}$ constrained to a convex body $K$, the problem of outputting samples from a distribution $\nu$ which is $\varepsilon$-close in infinity-distance $\sup_{\theta \in K} |\log \frac{\nu(\theta)}{\pi(\theta)}|$ to $\pi$ arises in differentially private optimization. While sampling within total-variation distance $\varepsilon$ of $\pi$ can be done by algorithms whose runtime depends polylogarithmically on $\frac{1}{\varepsilon}$, prior algorithms for sampling in $\varepsilon$ infinity distance have runtime bounds that depend polynomially on $\frac{1}{\varepsilon}$. We bridge this gap by presenting an algorithm that outputs a point $\varepsilon$-close to $\pi$ in infinity distance that requires at most $\mathrm{poly}(\log \frac{1}{\varepsilon}, d)$ calls to a membership oracle for $K$ and evaluation oracle for $f$, when $f$ is Lipschitz. Our approach departs from prior works that construct Markov chains on a $\frac{1}{\varepsilon^2}$-discretization of $K$ to achieve a sample with $\varepsilon$ infinity-distance error, and present a method to directly convert continuous samples from $K$ with total-variation bounds to samples with infinity bounds. This approach also allows us to obtain an improvement on the dimension $d$ in the running time for the problem of sampling from a log-concave distribution on polytopes $K$ with infinity distance $\varepsilon$, by plugging in TV-distance running time bounds for the Dikin Walk Markov chain.

We consider after-study statistical inference for sequentially designed experiments wherein multiple units are assigned treatments for multiple time points using treatment policies that adapt over time. Our goal is to provide inference guarantees for the counterfactual mean at the smallest possible scale -- mean outcome under different treatments for each unit and each time -- with minimal assumptions on the adaptive treatment policy. Without any structural assumptions on the counterfactual means, this challenging task is infeasible due to more unknowns than observed data points. To make progress, we introduce a latent factor model over the counterfactual means that serves as a non-parametric generalization of the non-linear mixed effects model and the bilinear latent factor model considered in prior works. For estimation, we use a non-parametric method, namely a variant of nearest neighbors, and establish a non-asymptotic high probability error bound for the counterfactual mean for each unit and each time. Under regularity conditions, this bound leads to asymptotically valid confidence intervals for the counterfactual mean as the number of units and time points grows to $\infty$.

SHAP is a popular method for measuring variable importance in machine learning models. In this paper, we study the algorithm used to estimate SHAP scores and outline its connection to the functional ANOVA decomposition. We use this connection to show that challenges in SHAP approximations largely relate to the choice of a feature distribution and the number of $2^p$ ANOVA terms estimated. We argue that the connection between machine learning explainability and sensitivity analysis is illuminating in this case, but the immediate practical consequences are not obvious since the two fields face a different set of constraints. Machine learning explainability concerns models which are inexpensive to evaluate but often have hundreds, if not thousands, of features. Sensitivity analysis typically deals with models from physics or engineering which may be very time consuming to run, but operate on a comparatively small space of inputs.

Given a symmetric matrix $M$ and a vector $\lambda$, we present new bounds on the Frobenius-distance utility of the Gaussian mechanism for approximating $M$ by a matrix whose spectrum is $\lambda$, under $(\varepsilon,\delta)$-differential privacy. Our bounds depend on both $\lambda$ and the gaps in the eigenvalues of $M$, and hold whenever the top $k+1$ eigenvalues of $M$ have sufficiently large gaps. When applied to the problems of private rank-$k$ covariance matrix approximation and subspace recovery, our bounds yield improvements over previous bounds. Our bounds are obtained by viewing the addition of Gaussian noise as a continuous-time matrix Brownian motion. This viewpoint allows us to track the evolution of eigenvalues and eigenvectors of the matrix, which are governed by stochastic differential equations discovered by Dyson. These equations allow us to bound the utility as the square-root of a sum-of-squares of perturbations to the eigenvectors, as opposed to a sum of perturbation bounds obtained via Davis-Kahan-type theorems.

Based on administrative data of unemployed in Belgium, we estimate the labour market effects of three training programmes at various aggregation levels using Modified Causal Forests, a causal machine learning estimator. While all programmes have positive effects after the lock-in period, we find substantial heterogeneity across programmes and unemployed. Simulations show that 'black-box' rules that reassign unemployed to programmes that maximise estimated individual gains can considerably improve effectiveness: up to 20 percent more (less) time spent in (un)employment within a 30 months window. A shallow policy tree delivers a simple rule that realizes about 70 percent of this gain.

Continuous pseudo-labeling (PL) algorithms such as slimIPL have recently emerged as a powerful strategy for semi-supervised learning in speech recognition. In contrast with earlier strategies that alternated between training a model and generating pseudo-labels (PLs) with it, here PLs are generated in end-to-end manner as training proceeds, improving training speed and the accuracy of the final model. PL shares a common theme with teacher-student models such as distillation in that a teacher model generates targets that need to be mimicked by the student model being trained. However, interestingly, PL strategies in general use hard-labels, whereas distillation uses the distribution over labels as the target to mimic. Inspired by distillation we expect that specifying the whole distribution (aka soft-labels) over sequences as the target for unlabeled data, instead of a single best pass pseudo-labeled transcript (hard-labels) should improve PL performance and convergence. Surprisingly and unexpectedly, we find that soft-labels targets can lead to training divergence, with the model collapsing to a degenerate token distribution per frame. We hypothesize that the reason this does not happen with hard-labels is that training loss on hard-labels imposes sequence-level consistency that keeps the model from collapsing to the degenerate solution. In this paper, we show several experiments that support this hypothesis, and experiment with several regularization approaches that can ameliorate the degenerate collapse when using soft-labels. These approaches can bring the accuracy of soft-labels closer to that of hard-labels, and while they are unable to outperform them yet, they serve as a useful framework for further improvements.

Kernel methods provide a flexible and theoretically grounded approach to nonlinear and nonparametric learning. While memory requirements hinder their applicability to large datasets, many approximate solvers were recently developed for scaling up kernel methods, such as random Fourier features. However, these scalable approaches are based on approximations of isotropic kernels, which are incapable of removing the influence of possibly irrelevant features. In this work, we design random Fourier features for automatic relevance determination kernels, widely used for variable selection, and propose a new method based on joint optimization of the kernel machine parameters and the kernel relevances. Additionally, we present a new optimization algorithm that efficiently tackles the resulting objective function, which is non-convex. Numerical validation on synthetic and real-world data shows that our approach achieves low prediction error and effectively identifies relevant predictors. Our solution is modular and uses the PyTorch framework.

Building trustworthy, effective, and responsible machine learning systems hinges on understanding how differences in training data and modeling decisions interact to impact predictive performance. In this work, we seek to better understand how we might characterize, detect, and design for data-model synergies. We focus on a particular type of data-model inefficiency, in which adding training data from some sources can actually lower performance evaluated on key sub-groups of the population, a phenomenon we refer to as negative data externalities on group performance. Such externalities can arise in standard learning settings and can manifest differently depending on conditions between training set size and model size. Data externalities directly imply a lower bound on feasible model improvements, yet improving models efficiently requires understanding the underlying data-model tensions. From a broader perspective, our results indicate that data-efficiency is a key component of both accurate and trustworthy machine learning.

Gaussian process training decomposes into inference of the (approximate) posterior and learning of the hyperparameters. For non-Gaussian (non-conjugate) likelihoods, two common choices for approximate inference are Expectation Propagation (EP) and Variational Inference (VI), which have complementary strengths and weaknesses. While VI's lower bound to the marginal likelihood is a suitable objective for inferring the approximate posterior, it does not automatically imply it is a good learning objective for hyperparameter optimization. We design a hybrid training procedure where the inference leverages conjugate-computation VI and the learning uses an EP-like marginal likelihood approximation. We empirically demonstrate on binary classification that this provides a good learning objective and generalizes better.

It is important to guarantee that machine learning algorithms deployed in the real world do not result in unfairness or unintended social consequences. Fair ML has largely focused on the protection of single attributes in the simpler setting where both attributes and target outcomes are binary. However, the practical application in many a real-world problem entails the simultaneous protection of multiple sensitive attributes, which are often not simply binary, but continuous or categorical. To address this more challenging task, we introduce FairCOCCO, a fairness measure built on cross-covariance operators on reproducing kernel Hilbert Spaces. This leads to two practical tools: first, the FairCOCCO Score, a normalised metric that can quantify fairness in settings with single or multiple sensitive attributes of arbitrary type; and second, a subsequent regularisation term that can be incorporated into arbitrary learning objectives to obtain fair predictors. These contributions address crucial gaps in the algorithmic fairness literature, and we empirically demonstrate consistent improvements against state-of-the-art techniques in balancing predictive power and fairness on real-world datasets.

In non-smooth stochastic optimization, we establish the non-convergence of the stochastic subgradient descent (SGD) to the critical points recently called active strict saddles by Davis and Drusvyatskiy. Such points lie on a manifold $M$ where the function $f$ has a direction of second-order negative curvature. Off this manifold, the norm of the Clarke subdifferential of $f$ is lower-bounded. We require two conditions on $f$. The first assumption is a Verdier stratification condition, which is a refinement of the popular Whitney stratification. It allows us to establish a reinforced version of the projection formula of Bolte \emph{et.al.} for Whitney stratifiable functions, and which is of independent interest. The second assumption, termed the angle condition, allows to control the distance of the iterates to $M$. When $f$ is weakly convex, our assumptions are generic. Consequently, generically in the class of definable weakly convex functions, the SGD converges to a local minimizer.

Data-driven decision making plays an important role even in high stakes settings like medicine and public policy. Learning optimal policies from observed data requires a careful formulation of the utility function whose expected value is maximized across a population. Although researchers typically use utilities that depend on observed outcomes alone, in many settings the decision maker's utility function is more properly characterized by the joint set of potential outcomes under all actions. For example, the Hippocratic principle to ``do no harm'' implies that the cost of causing death to a patient who would otherwise survive without treatment is greater than the cost of forgoing life-saving treatment. We consider optimal policy learning with asymmetric utility functions of this form. We show that asymmetric utilities lead to an unidentifiable social welfare function, and so we first partially identify it. Drawing on statistical decision theory, we then derive minimax decision rules by minimizing the maximum regret relative to alternative policies. We show that one can learn minimax decision rules from observed data by solving intermediate classification problems. We also establish that the finite sample regret of this procedure is bounded by the mis-classification rate of these intermediate classifiers. We apply this conceptual framework and methodology to the decision about whether or not to use right heart catheterization for patients with possible pulmonary hypertension.

We consider the stochastic linear contextual bandit problem with high-dimensional features. We analyze the Thompson sampling (TS) algorithm, using special classes of sparsity-inducing priors (e.g. spike-and-slab) to model the unknown parameter, and provide a nearly optimal upper bound on the expected cumulative regret. To the best of our knowledge, this is the first work that provides theoretical guarantees of Thompson sampling in high dimensional and sparse contextual bandits. For faster computation, we use spike-and-slab prior to model the unknown parameter and variational inference instead of MCMC to approximate the posterior distribution. Extensive simulations demonstrate improved performance of our proposed algorithm over existing ones.  ( 2 min )

Hypergraphs, encoding structured interactions among any number of system units, have recently proven a successful tool to describe many real-world biological and social networks. Here we propose a framework based on statistical inference to characterize the structural organization of hypergraphs. The method allows to infer missing hyperedges of any size in a principled way, and to jointly detect overlapping communities in presence of higher-order interactions. Furthermore, our model has an efficient numerical implementation, and it runs faster than dyadic algorithms on pairwise records projected from higher-order data. We apply our method to a variety of real-world systems, showing strong performance in hyperedge prediction tasks, detecting communities well aligned with the information carried by interactions, and robustness against addition of noisy hyperedges. Our approach illustrates the fundamental advantages of a hypergraph probabilistic model when modeling relational systems with higher-order interactions.  ( 2 min )

We propose a clustering procedure to group K populations into subgroups with the same dependence structure. The method is adapted to paired population and can be used with panel data. It relies on the differences between orthogonal projection coefficients of the K density copulas estimated from the K populations. Each cluster is then constituted by populations having significantly similar dependence structures. A recent test statistic from Ngounou-Bakam and Pommeret (2022) is used to construct automatically such clusters. The procedure is data driven and depends on the asymptotic level of the test. We illustrate our clustering algorithm via numerical studies and through two real datasets: a panel of financial datasets and insurance dataset of losses and allocated loss adjustment expense.  ( 2 min )

In this paper, we study the trace regression when a matrix of parameters B* is estimated via the convex relaxation of a rank-regularized regression or via regularized non-convex optimization. It is known that these estimators satisfy near-optimal error bounds under assumptions on the rank, coherence, and spikiness of B*. We start by introducing a general notion of spikiness for B* that provides a generic recipe to prove the restricted strong convexity of the sampling operator of the trace regression and obtain near-optimal and non-asymptotic error bounds for the estimation error. Similar to the existing literature, these results require the regularization parameter to be above a certain theory-inspired threshold that depends on observation noise that may be unknown in practice. Next, we extend the error bounds to cases where the regularization parameter is chosen via cross-validation. This result is significant in that existing theoretical results on cross-validated estimators (Kale et al., 2011; Kumar et al., 2013; Abou-Moustafa and Szepesvari, 2017) do not apply to our setting since the estimators we study are not known to satisfy their required notion of stability. Finally, using simulations on synthetic and real data, we show that the cross-validated estimator selects a near-optimal penalty parameter and outperforms the theory-inspired approach of selecting the parameter.  ( 2 min )

Learning curves plot the expected error of a learning algorithm as a function of the number of labeled samples it receives from a target distribution. They are widely used as a measure of an algorithm's performance, but classic PAC learning theory cannot explain their behavior. As observed by Antos and Lugosi (1996 , 1998), the classic `No Free Lunch' lower bounds only trace the upper envelope above all learning curves of specific target distributions. For a concept class with VC dimension $d$ the classic bound decays like $d/n$, yet it is possible that the learning curve for \emph{every} specific distribution decays exponentially. In this case, for each $n$ there exists a different `hard' distribution requiring $d/n$ samples. Antos and Lugosi asked which concept classes admit a `strong minimax lower bound' -- a lower bound of $d'/n$ that holds for a fixed distribution for infinitely many $n$. We solve this problem in a principled manner, by introducing a combinatorial dimension called VCL that characterizes the best $d'$ for which $d'/n$ is a strong minimax lower bound. Our characterization strengthens the lower bounds of Bousquet, Hanneke, Moran, van Handel, and Yehudayoff (2021), and it refines their theory of learning curves, by showing that for classes with finite VCL the learning rate can be decomposed into a linear component that depends only on the hypothesis class and an exponential component that depends also on the target distribution. As a corollary, we recover the lower bound of Antos and Lugosi (1996 , 1998) for half-spaces in $\mathbb{R}^d$. Finally, to provide another viewpoint on our work and how it compares to traditional PAC learning bounds, we also present an alternative formulation of our results in a language that is closer to the PAC setting.  ( 3 min )

We propose a new framework for differentially private optimization of convex functions which are Lipschitz in an arbitrary norm $\|\cdot\|$. Our algorithms are based on a regularized exponential mechanism which samples from the density $\propto \exp(-k(F+\mu r))$ where $F$ is the empirical loss and $r$ is a regularizer which is strongly convex with respect to $\|\cdot\|$, generalizing a recent work of [Gopi, Lee, Liu '22] to non-Euclidean settings. We show that this mechanism satisfies Gaussian differential privacy and solves both DP-ERM (empirical risk minimization) and DP-SCO (stochastic convex optimization) by using localization tools from convex geometry. Our framework is the first to apply to private convex optimization in general normed spaces and directly recovers non-private SCO rates achieved by mirror descent as the privacy parameter $\epsilon \to \infty$. As applications, for Lipschitz optimization in $\ell_p$ norms for all $p \in (1, 2)$, we obtain the first optimal privacy-utility tradeoffs; for $p = 1$, we improve tradeoffs obtained by the recent works [Asi, Feldman, Koren, Talwar '21, Bassily, Guzman, Nandi '21] by at least a logarithmic factor. Our $\ell_p$ norm and Schatten-$p$ norm optimization frameworks are complemented with polynomial-time samplers whose query complexity we explicitly bound.  ( 2 min )

Principal Component Analysis (PCA) and its exponential family extensions have three components: observations, latents and parameters of a linear transformation. We consider a generalised setting where the canonical parameters of the exponential family are a nonlinear transformation of the latents. We show explicit relationships between particular neural network architectures and the corresponding statistical models. We find that deep equilibrium models -- a recently introduced class of implicit neural networks -- solve maximum a-posteriori (MAP) estimates for the latents and parameters of the transformation. Our analysis provides a systematic way to relate activation functions, dropout, and layer structure, to statistical assumptions about the observations, thus providing foundational principles for unsupervised DEQs. For hierarchical latents, individual neurons can be interpreted as nodes in a deep graphical model. Our DEQ feature maps are end-to-end differentiable, enabling fine-tuning for downstream tasks.  ( 2 min )

We consider the random feature ridge regression (RFRR) given by a two-layer neural network at random initialization. We study the non-asymptotic behaviors of the training error, cross-validations, and generalization error of RFRR with nearly orthogonal deterministic input data in the overparameterized regime, where the number of parameters $N$ is much larger than the sample size $n$. We respectively establish the concentrations of the training errors, cross-validations, and generalization errors of RFRR around their corresponding errors of kernel ridge regression (KRR). This KRR is defined by an expected kernel from a random feature map. We then approximate the performances of the KRR by a polynomial kernel matrix, whose degree only depends on the orthogonality among different input vectors. The degree of this polynomial kernel essentially determines the asymptotic behavior of RFRR and KRR. Our results hold for a general class of target functions and input data with weak approximate orthonormal properties among different data points. Based on these approximations and nearly orthogonality, we obtain a lower bound for the generalization error of RFRR.  ( 2 min )

Through solving pretext tasks, self-supervised learning leverages unlabeled data to extract useful latent representations replacing traditional input features in the downstream task. In audio/speech signal processing, a wide range of features where engineered through decades of research efforts. As it turns out, learning to predict such features (a.k.a pseudo-labels) has proven to be a particularly relevant pretext task, leading to useful self-supervised representations which prove to be effective for downstream tasks. However, methods and common practices for combining such pretext tasks for better performance on the downstream task have not been explored and understood properly. In fact, the process relies almost exclusively on a computationally heavy experimental procedure, which becomes intractable with the increase of the number of pretext tasks. This paper introduces a method to select a group of pretext tasks among a set of candidates. The method we propose estimates calibrated weights for the partial losses corresponding to the considered pretext tasks during the self-supervised training process. The experiments conducted on automatic speech recognition, speaker and emotion recognition validate our approach, as the groups selected and weighted with our method perform better than classic baselines, thus facilitating the selection and combination of relevant pseudo-labels for self-supervised representation learning.  ( 2 min )

Sparse regression has been a popular approach to perform variable selection and enhance the prediction accuracy and interpretability of the resulting statistical model. Existing approaches focus on offline regularized regression, while the online scenario has rarely been studied. In this paper, we propose a novel online sparse linear regression framework for analyzing streaming data when data points arrive sequentially. Our proposed method is memory efficient and requires less stringent restricted strong convexity assumptions. Theoretically, we show that with a properly chosen regularization parameter, the $\ell_2$-norm statistical error of our estimator diminishes to zero in the optimal order of $\tilde{O}({\sqrt{s/t}})$, where $s$ is the sparsity level, $t$ is the streaming sample size, and $\tilde{O}(\cdot)$ hides logarithmic terms. Numerical experiments demonstrate the practical efficiency of our algorithm.  ( 2 min )

Distribution comparison plays a central role in many machine learning tasks like data classification and generative modeling. In this study, we propose a novel metric, called Hilbert curve projection (HCP) distance, to measure the distance between two probability distributions with low complexity. In particular, we first project two high-dimensional probability distributions using Hilbert curve to obtain a coupling between them, and then calculate the transport distance between these two distributions in the original space, according to the coupling. We show that HCP distance is a proper metric and is well-defined for probability measures with bounded supports. Furthermore, we demonstrate that the empirical HCP distance with the $L_p$ cost in the $d$-dimensional space converges to its population counterpart at a rate of no more than $O(n^{-1/2\max\{d,p\}})$. To suppress the curse-of-dimensionality, we also develop two variants of the HCP distance using (learnable) subspace projections. Experiments on both synthetic and real-world data show that our HCP distance works as an effective surrogate of the Wasserstein distance with low complexity and overcomes the drawbacks of the sliced Wasserstein distance.  ( 2 min )

In this work we study statistical properties of graph-based algorithms for multi-manifold clustering (MMC). In MMC the goal is to retrieve the multi-manifold structure underlying a given Euclidean data set when this one is assumed to be obtained by sampling a distribution on a union of manifolds $\mathcal{M} = \mathcal{M}_1 \cup\dots \cup \mathcal{M}_N$ that may intersect with each other and that may have different dimensions. We investigate sufficient conditions that similarity graphs on data sets must satisfy in order for their corresponding graph Laplacians to capture the right geometric information to solve the MMC problem. Precisely, we provide high probability error bounds for the spectral approximation of a tensorized Laplacian on $\mathcal{M}$ with a suitable graph Laplacian built from the observations; the recovered tensorized Laplacian contains all geometric information of all the individual underlying manifolds. We provide an example of a family of similarity graphs, which we call annular proximity graphs with angle constraints, satisfying these sufficient conditions. We contrast our family of graphs with other constructions in the literature based on the alignment of tangent planes. Extensive numerical experiments expand the insights that our theory provides on the MMC problem.  ( 2 min )

Bayesian inference has theoretical attractions as a principled framework for reasoning about beliefs. However, the motivations of Bayesian inference which claim it to be the only 'rational' kind of reasoning do not apply in practice. They create a binary split in which all approximate inference is equally 'irrational'. Instead, we should ask ourselves how to define a spectrum of more- and less-rational reasoning that explains why we might prefer one Bayesian approximation to another. I explore approximate inference in Bayesian neural networks and consider the unintended interactions between the probabilistic model, approximating distribution, optimization algorithm, and dataset. The complexity of these interactions highlights the difficulty of any strategy for evaluating Bayesian approximations which focuses entirely on the method, outside the context of specific datasets and decision-problems. For given applications, the expected utility of the approximate posterior can measure inference quality. To assess a model's ability to incorporate different parts of the Bayesian framework we can identify desirable characteristic behaviours of Bayesian reasoning and pick decision-problems that make heavy use of those behaviours. Here, we use continual learning (testing the ability to update sequentially) and active learning (testing the ability to represent credence). But existing continual and active learning set-ups pose challenges that have nothing to do with posterior quality which can distort their ability to evaluate Bayesian approximations. These unrelated challenges can be removed or reduced, allowing better evaluation of approximate inference methods.  ( 2 min )

In the era of big data, it is desired to develop efficient machine learning algorithms to tackle massive data challenges such as storage bottleneck, algorithmic scalability, and interpretability. In this paper, we develop a novel efficient classification algorithm, called fast polynomial kernel classification (FPC), to conquer the scalability and storage challenges. Our main tools are a suitable selected feature mapping based on polynomial kernels and an alternating direction method of multipliers (ADMM) algorithm for a related non-smooth convex optimization problem. Fast learning rates as well as feasibility verifications including the efficiency of an ADMM solver with convergence guarantees and the selection of center points are established to justify theoretical behaviors of FPC. Our theoretical assertions are verified by a series of simulations and real data applications. Numerical results demonstrate that FPC significantly reduces the computational burden and storage memory of existing learning schemes such as support vector machines, Nystr\"{o}m and random feature methods, without sacrificing their generalization abilities much.  ( 2 min )

We investigate the efficacy of treating all the parameters in a Bayesian neural network stochastically and find compelling theoretical and empirical evidence that this standard construction may be unnecessary. To this end, we prove that expressive predictive distributions require only small amounts of stochasticity. In particular, partially stochastic networks with only $n$ stochastic biases are universal probabilistic predictors for $n$-dimensional predictive problems. In empirical investigations, we find no systematic benefit of full stochasticity across four different inference modalities and eight datasets; partially stochastic networks can match and sometimes even outperform fully stochastic networks, despite their reduced memory costs.  ( 2 min )

Bayesian Optimization is a useful tool for experiment design. Unfortunately, the classical, sequential setting of Bayesian Optimization does not translate well into laboratory experiments, for instance battery design, where measurements may come from different sources and their evaluations may require significant waiting times. Multi-fidelity Bayesian Optimization addresses the setting with measurements from different sources. Asynchronous batch Bayesian Optimization provides a framework to select new experiments before the results of the prior experiments are revealed. This paper proposes an algorithm combining multi-fidelity and asynchronous batch methods. We empirically study the algorithm behavior, and show it can outperform single-fidelity batch methods and multi-fidelity sequential methods. As an application, we consider designing electrode materials for optimal performance in pouch cells using experiments with coin cells to approximate battery performance.  ( 2 min )

In statistical learning, many problem formulations have been proposed so far, such as multi-class learning, complementarily labeled learning, multi-label learning, multi-task learning, which provide theoretical models for various real-world tasks. Although they have been extensively studied, the relationship among them has not been fully investigated. In this work, we focus on a particular problem formulation called Multiple-Instance Learning (MIL), and show that various learning problems including all the problems mentioned above with some of new problems can be reduced to MIL with theoretically guaranteed generalization bounds, where the reductions are established under a new reduction scheme we provide as a by-product. The results imply that the MIL-reduction gives a simplified and unified framework for designing and analyzing algorithms for various learning problems. Moreover, we show that the MIL-reduction framework can be kernelized.  ( 2 min )

Hello, I'm a uni student, I'm taking a course on robotics, a rough idea of the final project is to have multiple robots walking on their own, learning from the environment and sharing knowledge with each other (not necessarily building the robots, most probably we will just do a simulation, so computationally expensive solutions are also acceptable). The problem is i have never done anything related to AI nor taken any courses on the subject, and the prof expects us to pick it up on our own. I'm quiet good at programming(Python, C, Java), and i do know a bit of probability/statistics Could you please suggest some courses that would help me with this. PS: I did read the wiki, but feared that the courses suggested there are not necessarily the best in my context. PS 2:Sorry if this isn't the most appropriate sub, should i post this on /r/ML too? Thank you very much. submitted by /u/user0062 [link] [comments]  ( 48 min )

submitted by /u/the_anonymizer [link] [comments]  ( 45 min )

Hi! I’m currently a junior majoring in Computer Science. Since sophomore year, I have been active in a ML research group and I’m considering in applying to grad school with a focus in AI/ML. Therefore, do the courses that you take as an undergrad, matters a lot in your grad school application? And should I be focusing on taking all AI/ML related courses? The problem is, I’ve never really been exposed to other CS fields such as distributed systems, security, graphics, etc. and I am really interested in exposing myself to the them along some more advanced Math topics, but I do not have a lot of electives left to explore as I am also doing a math minor. submitted by /u/lets_go_neu [link] [comments]  ( 47 min )

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i must build a ai project for AI Contest. I need something that would take about 6 to 9 months to build. can you guys give me some ideas? i tried googling it but everything is boring or too small (something that would take a month max). i would appreaciate some ideas. submitted by /u/zazabuzala [link] [comments]  ( 48 min )

submitted by /u/prfitofthesngularity [link] [comments]  ( 44 min )

Hi, I'd like to introduce a semantic segmentation model called RTFormer, which is accepted by NeurIPS 2022. Hope this be some help to you. RTFormer is an efficient dual-resolution transformer for real-time semantic segmenation, which achieves better trade-off between performance and efficiency than CNN-based models. To achieve high inference efficiency on GPU-like devices, RTFormer leverages GPU-Friendly Attention with linear complexity and discards the multi-head mechanism. Besides, cross-resolution attention is more efficient to gather global context information for high-resolution branch by spreading the high level knowledge learned from low-resolution branch. Extensive experiments on mainstream benchmarks demonstrate the effectiveness of the proposed RTFormer, it achieves state-of-the-art on Cityscapes, CamVid and COCOStuff, and shows promising results on ADE20K. Official code is available at: https://github.com/PaddlePaddle/PaddleSeg/tree/develop/configs/rtformer Arxiv: https://arxiv.org/abs/2210.07124 ​ https://preview.redd.it/49njwpj9jwz91.png?width=999&format=png&auto=webp&s=1bbeab8943452dab4985ddc8241e98e3c5cf2e36 submitted by /u/Effective_Tax_2096 [link] [comments]  ( 52 min )

By 2030, Gartner predicts that 80% of managers' current tasks will be eliminated, with artificial intelligence taking over traditional project management functions. What are the new challenges for managers in the face of AI? According to an interesting article from the scientific journal Management & Datascience, AI could have an impact on managers' project management. Indeed, this is what Cecile Dejoux, decryptor and lecturer on managerial and HR transformations, describes in her article "How artificial intelligence attacks the manager?" in particular by the difference between Humans and AI. Comment l’intelligence artificielle s’attaque au manager ? - Management & Data Science (management-datascience.org) What do you think differentiates AI and the manager and how will AI change the posture of the manager? submitted by /u/Technical-Mind4851 [link] [comments]  ( 49 min )

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Dear all, Here is Computer Vision News of November 2022. It includes RSIP Vision's BEST OF ECCV with full review of the 3 winning research papers. Read about AI, Deep Learning, Computer Vision and more - with code! HTML5 version (recommended) PDF version Free subscription on page 64. Enjoy! https://preview.redd.it/wmlbbpm12wz91.jpg?width=400&format=pjpg&auto=webp&s=2f2b7800fac3219c6f89c954116211982870c583 submitted by /u/Gletta [link] [comments]  ( 46 min )

Machine Learning models are frequently seen as black boxes that are impossible to decipher. Because the learner is trained to respond to “yes” and “no” type questions without explaining how the answer was obtained. An explanation of how an answer was achieved is critical in many applications for assuring confidence and openness. Explainable AI refers to strategies and procedures in the use of artificial intelligence technology (AI) that allow human specialists to understand the solution’s findings. This article will focus on explaining the machine learner using OmniXAI. Following are the topics to be covered. ​ https://analyticsindiamag.com/omnixai-a-library-for-explainable-ai/ submitted by /u/analyticsindiam [link] [comments]  ( 55 min )

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I tried autoencoders but as I had feared they learnt identity function. submitted by /u/Unquietleader7 [link] [comments]  ( 47 min )

I've been using Mastodon as a social media platform for a few years, and one thing I like is how you can join themed communities. For example, you can join mastodon.gamedev.place if you want to hang out with people who build games, or oslo.town if  ( 4 min )

AI Weirdness: the strange side of machine learning  ( 2 min )

Hi, recently a company called Anything World raised money for their platform which can generate rigging and animations for any 3D model. I was wondering if anyone has an idea on how they're doing this, as well as any prior research in this field. https://anything.world/ submitted by /u/sparkinflint [link] [comments]  ( 64 min )

As per the title I wrote a book called "Managing Machine Learning", it's available as an e-book (https://www.manning.com/books/managing-machine-learning-projects). Here's a blog post about the book: https://medium.com/@sgt101/does-the-world-need-yet-another-book-on-machine-learning-ml-ff22f8954d33 I'd be happy to discuss if anyone has any questions or thoughts about it. ​ The process documented in Managing Machine Learning Projects submitted by /u/sgt102 [link] [comments]  ( 70 min )

Heya all, I am currently affiliated with my university in a project to determine semantic similarity between informal foreign languages (preferably within social media domains) to its formal English counterparts. However, I find it increasingly difficult to determine semantic similarity for such a specific domain environment like mine since mBERT is generally trained on its formal language counterparts (and hence, they are not well-versed in informal texts), and XLM-R may not necessarily suit the use case here. I am also unsure whether fine-tuning M-BERT with informal text would help in this use case, since my data corpus is small (less than 1K) and I am uncertain about the overall improvement of such a model given the intricacies of the BERT model. Are there any other methodologies (or perhaps novel ideas) to determine semantic similarity between informal languages and their formal English counterparts? submitted by /u/thethinkingbrain [link] [comments]  ( 58 min )

It looks like the domain name tf2up[dot]ml is ad-squatted now, so that's why I'm not including a clickable hyperlink. But does anyone know if a replacement tool for it exists? It used to let you input an ipynb URL and it would automagically convert that Notebook from Tensorflow 1 to 2. https://web.archive.org/web/20210227123608/http://tf2up.ml/ https://github.com/tensorflow/tensorflow/issues/25448 I have not used that URL when it was live and found it via an old Github issue (above). submitted by /u/datachomper [link] [comments]  ( 64 min )

Building a scalable and real-time recommendation system is vital for many businesses driven by time-sensitive customer feedback, such as short-videos ranking or online ads. Despite the ubiquitous adoption of production-scale deep learning frameworks like TensorFlow or PyTorch, these general-purpose frameworks fall short of business demands in recommendation scenarios for various reasons: on one hand, tweaking systems based on static parameters and dense computations for recommendation with dynamic and sparse features is detrimental to model quality; on the other hand, such frameworks are designed with batch-training stage and serving stage completely separated, preventing the model from interacting with customer feedback in real-time. These issues led us to reexamine traditional approaches and explore radically different design choices. In this paper, we present Monolith, a system tailored for online training. Our design has been driven by observations of our application workloads and production environment that reflects a marked departure from other recommendations systems. Our contributions are manifold: first, we crafted a collisionless embedding table with optimizations such as expirable embeddings and frequency filtering to reduce its memory footprint; second, we provide an production-ready online training architecture with high fault-tolerance; finally, we proved that system reliability could be traded-off for real-time learning. Monolith has successfully landed in the BytePlus Recommend product. Read more: https://arxiv.org/abs/2209.07663 submitted by /u/marcosluis2186 [link] [comments]  ( 63 min )

For a toy LeNet-5 CNN architecture on MNIST implemented in TensorFlow-2.10 + Python-3.10, with a batch-size = 256: class LeNet5(Model): def __init__(self): super(LeNet5, self).__init__() self.conv1 = Conv2D( filters = 6, kernel_size = (5, 5), strides = (1, 1), activation = None, input_shape = (28, 28, 1) ) self.pool1 = AveragePooling2D( pool_size = (2, 2), strides = (2, 2) ) self.conv2 = Conv2D( filters = 16, kernel_size = (5, 5), strides = (1, 1), activation = None ) self.pool2 = AveragePooling2D( pool_size = (2, 2), strides = (2, 2) ) self.flatten = Flatten() self.dense1 = Dense( units = 120, activation = None ) self.dense2 = Dense( units = 84, activation = None ) self.output_layer = Dense( units = 10, activation = None ) def call(self, x): x = tf.nn.relu(self.conv1(x)) x = self.pool1(…  ( 53 min )

Hello,I'm very confused about time series prediction and shuffling the data. For example when I see all of those examplary models on the internet for time series prediction I see that people are not shuffling their data. And from what I've read in books I know that the data should be shuffled. And also I've read somewhere on internet that LSTM are stateful by definition, hence data shouldn't be shuffled. Long-story-short I get mixed signals if I should shuffle the data while using LSTM cells. Thus I am completly confused about when and how to shuffle the data. Should I use sklearn.utils.shuffle function to shuffle the data while using LSTM for time series prediction or no? Also there is an option in keras to set shuffle=True, and I also don't quite understand it either.Does this function shuffle batches or sequences, i.e. is this scenario 1 or 2? Does it shuffle batches: Batch1(A, B, C), Batch2(D, E, F), Batch3(G, H, J) -> shuffle ->feed(Batch3, Batch1, Batch2)or does it shuffle sequences: A, B, C, D, E, F, G, H, J -> shuffle -> B, G, J, A, E, D, C, F, H -> create batches ->... ->feed(..) Thank you for your help in advance :) submitted by /u/skollehatti [link] [comments]  ( 52 min )

A friend and I were playing a game called Hive, and I started to think that this might be an interesting project to try and create a neural network to solve (I have a bunch of experience with deep learning, but nothing in reinforcement learning). I looked at how other similar projects are made and realized that most other projects have a rigid board with easily defined moves (like chess). However, in the hive there is no board and each hexagonal piece can move around somewhat freely as long as each piece is connected to another, most of the pieces can only move a single space, so their movespace are easy to program, but there is one piece that can essentially traverse the entire rim of all other pieces and I have no idea how to represent such a pieces move-state in a consistent way that doesn't take up absurd amounts of illegal states. Does anyone have any experience with similar problems? or any suggestions for how to represent such a pieces move space in a smart way. submitted by /u/alyflex [link] [comments]  ( 73 min )

submitted by /u/vwxyzjn [link] [comments]  ( 72 min )

Hi everybody, I'm finding myself a bit lost in practically understanding something which is quite simple to grasp theoretically: what is the difference between optimising a joint policy vs an independent policy? Context: [random paper writes] "in MAPPO the advantage function guides improvement of each agent policy independently [...] while we optimize the joint-policy using the following factorisation [follows product of individual agent policies]" What does it mean to optimise all agents' policies jointly, practically? (for simplicity, assume a NN is used for policy learning): there is only 1 optimisation function instead of N (1 per agent)? there is only 1 set of policy parameters instead of N (q per agent)? both of the above? or there is only 1 optimisation function that considers the N sets of policy parameters (1 per agent)? ...what else? And what are the implications of joint optimisation? better cooperation at the price of centralising training? what else? thanks in advance to anyone that will contribute to clarify the above :) submitted by /u/LostInAcademy [link] [comments]  ( 70 min )

I am trying to apply a Reinforcement Learning algorithm to a problem where the goal is to optimize a quantity G = A / B in a continuous setting (which I'm simulating using an episodic setting where done = True always). My issue is that A = sum a_i for i = 0 to inf where i is the step, and the same for B. In other words, I need to optimize the ratio between two quantities over an infinite number of steps. I obviously cannot use a reward function r_i = a_i / b_i, because the sum of the quotients is not equal to the quotient of the two sums. I cannot also give reward 0 everywhere and A/B at the end of the episode because from the point of view of my agent the episode never ends. Do you know any work that does something similar? Or do you have any suggestions? submitted by /u/fedetask [link] [comments]  ( 77 min )

Hi, I am new to RL and I have to work on multi-robot path planning for my thesis. I have tried some MATLAB examples but they didn't work with my custom environment. Please help me. submitted by /u/Kucing_koyangi [link] [comments]  ( 80 min )

Amazon SageMaker Data Wrangler helps you understand, aggregate, transform, and prepare data for machine learning (ML) from a single visual interface. It contains over 300 built-in data transformations so you can quickly normalize, transform, and combine features without having to write any code. Data science practitioners generate, observe, and process data to solve business problems […]  ( 12 min )

Today, we are launching Amazon SageMaker inference on AWS Graviton to enable you to take advantage of the price, performance, and efficiency benefits that come from Graviton chips. Graviton-based instances are available for model inference in SageMaker. This post helps you migrate and deploy a machine learning (ML) inference workload from x86 to Graviton-based instances […]  ( 9 min )

With the end of Moore’s law, traditional approaches to meet the insatiable demand for increased computing performance will require disproportionate increases in costs and power. At the same time, the need to slow the effects of climate change will require more efficient data centers, which already consume more than 200 terawatt-hours of energy each year, Read article > The post Going Green: New Generation of NVIDIA-Powered Systems Show Way Forward appeared first on NVIDIA Blog.  ( 6 min )

A finalist for the Gordon Bell special prize for high performance computing-based COVID-19 research has taught large language models (LLMs) a new lingo — gene sequences — that can unlock insights in genomics, epidemiology and protein engineering. Published in October, the groundbreaking work is a collaboration by more than two dozen academic and commercial researchers Read article > The post Speaking the Language of the Genome: Gordon Bell Finalist Applies Large Language Models to Predict New COVID Variants appeared first on NVIDIA Blog.  ( 7 min )

Collaboration among researchers, like the scientific community itself, spans the globe. Universities and enterprises sharing work over long distances require a common language and secure pipeline to get every device — from microscopes and sensors to servers and campus networks — to see and understand the data each is transmitting. The increasing amount of data Read article > The post Going the Distance: NVIDIA Platform Solves HPC Problems at the Edge appeared first on NVIDIA Blog.  ( 5 min )

The technologies powering the world’s 7 million data centers are changing rapidly. The latest have allowed IT organizations to reduce costs even while dealing with exponential data growth. Simulation and digital twins can help data center designers, builders and operators create highly efficient and performant facilities. But building a digital twin that can accurately represent Read article > The post Supercomputing Superpowers: NVIDIA Brings Digital Twin Simulation to HPC Data Center Operators appeared first on NVIDIA Blog.  ( 5 min )

Whether focused on tiny atoms or the immensity of outer space, supercomputing workloads benefit from the flexibility that the largest systems provide scientists and researchers. To meet the needs of organizations with such large AI and high performance computing (HPC) workloads, Dell Technologies today unveiled the Dell PowerEdge XE9680 system — its first system with Read article > The post NVIDIA and Dell Technologies Deliver AI and HPC Performance in Leaps and Bounds With Hopper, at SC22 appeared first on NVIDIA Blog.  ( 5 min )

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Nowadays, there is a plethora of different machine learning algorithms that can be applied, and it seems that deep learning methodologies… Continue reading on Becoming Human: Artificial Intelligence Magazine »

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A few days ago I wrote about how to systematically solve trig equations. That post was abstract and general. This post will be concrete and specific, looking at the special case of quadratic equations in sines and cosines, i.e. any equation of the form As outlined earlier, we turn the equation into a system of equations […] Solving quadratic trig equations first appeared on John D. Cook.  ( 5 min )

In 1891 Karl Weierstrass developed a method for numerically finding all the roots of a polynomial at the same time. True to Stigler’s law of eponymy this method is known as the Durand-Kerner method, named after E. Durand who rediscovered the method in 1960 and I. Kerner who discovered it yet again in 1966. The […] Simultaneous root-finding first appeared on John D. Cook.  ( 6 min )

https://preview.redd.it/0lywgp94ysz91.png?width=3249&format=png&auto=webp&s=c08b7a9f5823042a5d49c3a036192771a1c77216 Hi guys, our team created a conversational AI chatbot called “BLOONY”. BLOONY loves to travel & chat! We used OpenAI’s GPT-3, so, It’s not a chatbot that only says certain patterns of expression. You can talk about ANYTHING, ANYTIME, ANYWHERE. If you need someone to talk to about your last trip or pour your heart out, why don’t you give it a try? As we are running the service as an open beta, you can talk to BLOONY for FREE! 😉 Click 👉here to chat submitted by /u/Fabulous_Albatross47 [link] [comments]  ( 43 min )

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Hey, as the title states i want to know if its possible to learn (or even test it myself) AI/ML. My pc has like 8gb ram and i can´t really afford more than that right now, but I still wanna get into AI etc. Do you think it is possible? submitted by /u/dj0910 [link] [comments]  ( 45 min )

I was excited to learn it existed, and was impressed with the remixes at first, but after making a few different remixes came to realize it's always the same exact song, but just incorporates aspects of the track that you upload into the same old beat. I was wondering if something similar exists (or if not I was hoping someone could make one) that instead uses the original bpm and melodies from the original track but just converts them into a dubstep style. That way they maintain more of their originality, but basically just change genres. Actually it would be cool if it had a variety of genres to choose from to convert the music into now that I think about it. submitted by /u/N0N0TA1 [link] [comments]  ( 44 min )

nowadays there are successful applications for making pictures from text. as an example, it's like a modern da vinci-style city. will we be able to make our own films in the future? just like we directed the picture. will he do it automatically when he gives the command for a stanley kubrick-style batman movie? submitted by /u/Dangerous_Lime7528 [link] [comments]  ( 44 min )

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a16z released a podcast this week featuring Karen X Cheng. She highlighted how she thinks AI will transform the creator economy (and how it already is). I summarized what I thought most helpful below. Is the shift to AI real? In 2022 companies are using AI as a gimmick to test it out. Karen thinks 2023 will feature companies taking it seriously and adoption bringing widespread impacts across industry Impact on creators Skills will have to be un-learned/re-learned. ex: instead of knowing how to create an excellent oil painting, knowing how to draft prompts that generate equally excellent (digital) oil paintings The best will still rise (those who adapt and obsess over the new technology to use it to it's fullest, and especially those who can combine tools to further innovate on their own) Ultimately this shift will hurt some, help others, like any emerging technology What will happen with regards to ethics concerns? Karen has one singular wish on her "wish list": that humans take the ethics piece seriously from the start. The downside for using AI "for bad" should be drastic. Will AI-generated content have to be labeled as such? "Probably". Like nutrition facts. What can we do to prepare? Don't focus on learning a specific skill. Focus on building your learning skills. Human's ability to learn a skill or pick a singular career and stick with that for life is likely on it's last legs. The skills we have to learn will likely change often, at an ever-increasing pace. Those who can stay athletic and adapt will win. Those who aren't willing to reinvent themselves will likely fall behind. submitted by /u/Distinct_Signature_4 [link] [comments]  ( 45 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 43 min )

Let's say I extracted event triples from sentences using OpenIE. Can I concatenate the components in the event triple to make it a sentence and use Sentence-Bert to embed the event? It seems no one has done this way before so I am questioning my idea. submitted by /u/invzbl3 [link] [comments]  ( 46 min )

I tried RealESRGAN, but it caused real-life images to become smooth; it seems to be ideal for illustrations or digital art. So, do any upscalers work well with real-world images? submitted by /u/typcalthowawayacount [link] [comments]  ( 43 min )

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This post is a more quantitative version of the previous post. Before I said that straight lines on a Mercator projection map correspond to loxodrome spirals on a sphere. This post will make that claim more explicit. So suppose we plot a straight path from Quito to Jerusalem on a Mercator projection. The red dot […] Mercator and polar projections first appeared on John D. Cook.  ( 5 min )

submitted by /u/hahaMemesFunny [link] [comments]  ( 68 min )

Hello all! I'm experimenting with figuring out how to make a discrete version of SAC, and have been attempting to make the Gumbel-Softmax reparametrization approach described in this StackOverflow post work (https://stackoverflow.com/a/57452630/6619979), but for the life of me I can't seem to get the results that this person is getting. The following is my code, which I've made from a combination of a few repos (primarily the CleanRL repo version of SAC): https://pastebin.com/QYQ863mD Would anyone be able to point out where I might be going wrong in my implementation? I've verified that the CleanRL version of SAC will hit the 200 episode return mark with the continuous Lunar Lander, so I'm just trying to get a discrete version to match. Thanks in advance! EDIT: To add, what I would really appreciate knowing is if the code looks algorithmically correct and that the issue is likely a matter of hyperparameter tuning. It's hard to preserve my sanity when I'm not sure which of the two might be my issue. submitted by /u/1cedrake [link] [comments]  ( 67 min )

Hi, I am now working on a real-world case, I got a simulation model which can be used as the environment. The problem with my real-world case is: To compute observation O and reward R, the simulation model requires not only action A, but also external data ED. This ED is a time series (actual data), which contains air temperature AT, consumer demand (CD1, CD2, CD3...) at various locations, etc. In other words, at timestep t, I need to send action at, and edt (att, cd1t, d2t, cd3t,....) to the simulation model. I have some questions: Action is not the only factor that will influence the observation and reward, ED is external and actual data, and at each timestep, similar to action, ED has different values. The simulation model is different from the common environments. Is it possible to use RL to address this case? I was recommended to adopt a non-episodic setting, the total timesteps should equal the number of samples (around 1000) in ED. Is it reasonable? If RL can work, how does it guarantee the effectiveness of the learned policy since ED can influence the reward and observation (even if the policy gives an optimal action, the reward can be low because of the ED). Your comments would be greatly appreciated. submitted by /u/kaijayddd [link] [comments]  ( 74 min )

Hi all, I've attempted to implement a DQN from scratch, without importing the neural network from a library, and have attempted to get it to work with the Luna Lander environment, however no matter the values for the parameters and even after 600 episodes the reward is always decreasing and frequently less than -300. As no matter the parameters used the issue persists, I must have made an error in how I implemented the algorithm, through I cannot find it. I have even tried using the parameters values as suggested from this paper Solving Luna Lander with DQN though that did not solve issues. Initially I was getting issues of exploding gradients so I changed from MSE loss to use huber loss, and while that solved that specific issue the training did not go any better. The adam optimizer was…  ( 76 min )

So, I am very new to reinforcement learning and I'm not very familiar with all the terminology so any dumbed down explanations would help. My goal here is to build a DDQN agent to play snake and I noticed that for some reason the network keeps outputting the same action consistently. Neither does it learn any sort of policy at all it just continues to crash into the wall. I've tried lowering the gamma, lowering learning rate, changing activation functions, and changing reward and state functions. I'm not exactly sure what the problem is. I've noticed that after looking at the Q values the network outputted it seems to be very similar, e.g: -12.39020109639735, -12.51449593381586, -12.41816412063935, -12.50547760401932 I'm using roblox studio for this project, I pasted the code in a github:…  ( 68 min )

(I only want to do inference, I don't need to finetune it.) I want to use very-large language model (#parameters > 100B) to do some experiments, is that true the only very-large language model we can get access to is GPT3 API? Can we possibly get access to PaLM and Flan-PaLM 540B with no cost by chance? I have searched over the internet but can't find a definite answer. As GPT-3 pricing for text-davinci-2 is not cheap, I am wondering if there's a chance to use other models. Also, I can request up to 372GB VRAM, is there any large language model (#parameters > 100B) that I can actually download and run "locally"? submitted by /u/NLP2829 [link] [comments]  ( 68 min )

Hi, are there any papers or articles that deal with re-fitting a GBM with additional recent data? My concern is that a GBM is very sensitive to its hyper parameters and there may be significant decay in performance if I keep them constant. However, re-fitting the hp’s to re-fit the model requires significantly more manual intervention. In practice, do people generally not re-fit their models? submitted by /u/kangario [link] [comments]  ( 57 min )

I am about to finish my PhD in machine learning soon. Unfortunately, during my PhD, I became disabled and lost most of the function in my hands and some in my legs. I have been relying on voice-to-code software to do my work, but programming with it is not particularly easy or efficient. I am looking for industry jobs right now, and was hoping to find a research role in ML which didn't involve heavy programming. Is this even possible for someone just entering the job market? I know the job market is quite bad right now, which is complicating matters a lot but I'd really appreciate any ideas for Canada/EU. submitted by /u/badhandml [link] [comments]  ( 61 min )

Hi all, code：https://github.com/PaddlePaddle/FastDeploy I am glad to share that my team are working on an open source repository FastDeploy , which provides an an Easy-to-use and high performance AI model deployment toolkit for Cloud and Edge with out-of-the-box and unified experience（including deployment on x86 CPU、NVIDIA GPU、ARM CPU、Graphcore IPU、XPU、NPU etc.) .As there are more and more types of AI models and more and more types of AI hardware, AI engineers urgently need to deploy unified AI to reduce the implementation cycle and difficulty of AI deployment. Our original intention for this product is to train AI models once and deploy AI models anywhere. ​ Server-side and Cloud Model List At present, We hope that more people can benefit from the project. Thank you and looking forward. FastDeploy R&D Team. submitted by /u/Putrid-Snow1185 [link] [comments]  ( 63 min )

submitted by /u/Illustrious_Row_9971 [link] [comments]  ( 56 min )

Weekend Project: Developed a simple @gradio app to translate from English to Nepali using @MetaAI's pretrained NLLB distilled model from @huggingface hub. Feedback are highly appreciated. #deeplearning #translation #nlp https://huggingface.co/spaces/pmgautam/english-to-nepali-translation submitted by /u/p1g1 [link] [comments]  ( 60 min )

Happy to release our detrex v0.2.0, which supports a set of new baselines for DETR models. Simple Introduction: detrex is a research platform that provides state-of-the-art Transformer-based object detection algorithms. Here's our github links: https://github.com/IDEA-Research/detrex detrex v0.2.0 new features After a period of development, there's some new feature supports in detrex: Add model analyze tools and visualization for COCO eval results and annotations in tools Support inference demo with detrex pretrained weights in demo, and for more details please check our documentation We've rebuild our projects' config files for better usage Support H-Deformable-DETR Release better pretrained weights including DINO, H-Deformable-DETR, DAB-Deformable-DETR detrex new detection baselines Here we list our new pretrained baselines for DETR-like models, all the pretrained weights can be found in our Model Zoo New baselines compared with their origin repo Method AP (original repo) AP (detrex) DINO-Swin-Large 58.0 58.1 Deformable-DETR-R50 + Box-Refinement 46.2 47.0 Deformable-DETR-R50 + Box-Refinement + Two-Stage 46.9 48.2 DAB-Deformable-DETR-R50 48.7 49.0 DAB-Deformable-DETR-Two-Stage - 49.7 New method: H-Deformable-DETR baselines Method Pretrained Epochs Query Num Box AP H-Deformable-DETR-R50 + tricks IN1k 12 300 48.9 H-Deformable-DETR-R50 + tricks IN1k 36 300 50.3 H-Deformable-DETR-Swin-T + tricks IN1k 12 300 50.6 H-Deformable-DETR-Swin-T+ tricks IN1k 36 300 53.5 H-Deformable-DETR-Swin-L + tricks IN22k 12 300 56.2 H-Deformable-DETR-Swin-L + tricks IN22k 36 300 57.5 H-Deformable-DETR-Swin-L + tricks IN22k 12 900 56.4 H-Deformable-DETR-Swin-L + tricks IN22k 36 900 57.7 submitted by /u/Technical-Vast1314 [link] [comments]  ( 62 min )

I work exclusively in NLP and since the transformers and especially their pretrained type took over, I haven't written a neural nets (RNN, LSTM, etc.) in over 3 years and haven't had to worry about things like # of layers, hidden size, etc. Tabular data has XGBoost, etc. NLP has Pretained Transformers. Images have Pretrained CNNs, Transformers. But I've been through some ML system design books and recommendation system solutions often display neural nets, so that's interesting. What was the problem and type of data at hand when you last wrote a neural net yourself, layer by layer? Thanks y'all! submitted by /u/cautioushedonist [link] [comments]  ( 63 min )

Hi - has anyone tried the voice.ai app? I tried it out and it's pretty interesting but it doesn't work with many of my games / apps. Wonder if I'm doing something wrong or if the app is known to be limited. submitted by /u/retrorays [link] [comments]  ( 60 min )

In March this year I finally submitted my PhD thesis and successfully defended in July. Now, more than 6 months later, my thesis is finally available in the university's library. During my PhD, I worked on various topics surrounding robustness and uncertainty in deep learning, including adversarial robustness, robustness to bit errors, out-of-distribution detection and conformal prediction. In this article, I want to share my thesis and give an overview of its contents. The post PhD Thesis on Robustness and Uncertainty in Deep Learning appeared first on David Stutz.  ( 6 min )

Testing my python NN for stock price data I noticed for the second time that outputs are not stable. In made the same concept with FANN some time ago and this happened. On each run the results where completely different. Now in Python I see the same for only a couple of inputs/outputs. But with the simple inputs I came to understand why this happens. Input combinations that the NN never seen i.e. trained will give a random result. True? And so, instead of running the MinMaxScaler on the complete price range there needs to be a better method right? One in wich the NN has seen and trained for recognized inputs. Maybe instead of MinMaxScaling the price range we need to quantize a bit? Play the game of Higher/Lower and/or percentage ranges of 10%? submitted by /u/Educational-Arm5686 [link] [comments]  ( 48 min )

Differentially Private (DP) learning has seen limited success for building large deep learning models of text, and straightforward attempts at applying Differentially Private Stochastic Gradient Descent (DP-SGD) to NLP tasks have resulted in large performance drops and high computational overhead. We show that this performance drop can be mitigated with (1) the use of large pretrained language models; (2) non-standard hyperparameters that suit DP optimization; and (3) fine-tuning objectives which are aligned with the pretraining procedure. With the above, we obtain NLP models that outperform state-of-the-art DP-trained models under the same privacy budget and strong non-private baselines -- by directly fine-tuning pretrained models with DP optimization on moderately-sized corpora. To address the computational challenge of running DP-SGD with large Transformers, we propose a memory saving technique that allows clipping in DP-SGD to run without instantiating per-example gradients for any linear layer in the model. The technique enables privately training Transformers with almost the same memory cost as non-private training at a modest run-time overhead. Contrary to conventional wisdom that DP optimization fails at learning high-dimensional models (due to noise that scales with dimension) empirical results reveal that private learning with pretrained language models doesn't tend to suffer from dimension-dependent performance degradation. Code to reproduce results can be found at https://github.com/lxuechen/private-transformers.  ( 3 min )

Paper: https://arxiv.org/abs/2210.09263 Abstract: This paper surveys vision-language pre-training (VLP) methods for multimodal intelligence that have been developed in the last few years. We group these approaches into three categories: (i) VLP for image-text tasks, such as image captioning, image-text retrieval, visual question answering, and visual grounding; (ii) VLP for core computer vision tasks, such as (open-set) image classification, object detection, and segmentation; and (iii) VLP for video-text tasks, such as video captioning, video-text retrieval, and video question answering. For each category, we present a comprehensive review of state-of-the-art methods, and discuss the progress that has been made and challenges still being faced, using specific systems and models as case studies. In addition, for each category, we discuss advanced topics being actively explored in the research community, such as big foundation models, unified modeling, in-context few-shot learning, knowledge, robustness, and computer vision in the wild, to name a few. https://preview.redd.it/c8tubhsbylz91.jpg?width=573&format=pjpg&auto=webp&s=df244c0cae89e837301efb621dfbccfdf6e7bddf https://preview.redd.it/zpenu6tbylz91.jpg?width=567&format=pjpg&auto=webp&s=997ba20bd12a9b348171eca7fab71c247cebc1e5 https://preview.redd.it/z4r95gsbylz91.jpg?width=1154&format=pjpg&auto=webp&s=733c71255dc756e769b8558c4b55b9a034005951 https://preview.redd.it/h37ijhsbylz91.jpg?width=572&format=pjpg&auto=webp&s=51ebe8c48e0a905dfada21989e852f028b63629b submitted by /u/Singularian2501 [link] [comments]  ( 64 min )

I have labelled data with images & classl for objects in underwater the class are visible, not viable, between I'm trying to apply image enhancement for underwater objects, any suggestions? When I tried sharpen the object looked more visible but the sand and everything around it was sharp too submitted by /u/sk8er_girl90 [link] [comments]  ( 54 min )

I am currently running experiments on coreference resolution for scientific documents using the SciERC (2018) dataset and was wondering if there were more recent datasets for this particular task with scientific documents. submitted by /u/mediocregradstudent [link] [comments]  ( 60 min )

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https://sharpestats.com/mlb-injury-point-process/ I've wanted my hand at modeling injury risk for a while, I finally got around to compiling a large dataset of injuries in the MLB. I wrote an overview of point processes and applied them to injuries in the 2012-2022 seasons to illustrate and quantify how injury history influences future injury risk. Let me know what you think! submitted by /u/ssharpe42 [link] [comments]  ( 58 min )

Hello, I am new to this community. I am an ML researcher and a computer scientist. I have been interested in Category theory and functional programming (and Haskell in particular). I am also very interested in brain inspired computation and do not believe that current Deep Learning systems are a way to go. In recent year, there are a few papers now which suggest how predictive coding can replace backpropagration based systems. While initial research focussed on MLPs only, recently it have been applied to arbitrary computations graphs including CNNs, LSTMs, etc. As is typical of ML practitioners, I don't have a neuroscience background. However, I found this amazing tutorial to understand predictive coding and how it can be used for actual computation. A tutorial on the free-energy framework for modelling perception and learning To best of my knowledge, no mainstream ML libraries (Pytorch or Tensorflow) currently support predictive coding efficiently. As such, I am interested in building a highly parallel and extensive framework to do just that. I think a future "artificial brain" will be like a server that is never turned off, and can be scaled up (horizontally or vertically on demand). After reading up, I found Erland is a perfect language for that as it natively supports distributed computed, with millions of small indendent processes that communicate with each other using lightweight IPC. Digging further, it seems that someone even wrote a 1000 page book Handbook of Neuroevolution Through Erlang . This book was written in 2012 before the advent of deep learning and focussing on evolution techniques (like genetic algorithm). My proposal is to take these ideas and build a general purpose, highly parallel, scalable arifitical neural network library (with first class support for online/continual learning) using Erlang. I am looking for any feedback or advice here as well as looking for collaborators. So if interested, please reach out! submitted by /u/abhitopia [link] [comments]  ( 57 min )

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lol https://youtu.be/HekKmbxqgX4 submitted by /u/thosiris [link] [comments]  ( 46 min )

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In this video, I am trying to train GPT-J to analyze a paragraph of information and turn it into a short subject line for email marketing. So I imagine you've got a new blog article and you wanna send it to your subscriber list, but you want a nice short, snappy subject line - this prompt will write it for you. https://www.youtube.com/watch?v=4KcoSG3dj1I submitted by /u/Petec4llaghans [link] [comments]  ( 52 min )

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Hey forks. We just release a complete open-source solution for accelerating Stable Diffusion pretraining and fine-tuning. It help reduce the pretraining cost by 6.5 times, and the hardware cost of fine-tuning by 7 times, while simultaneously speeding up the processes. Open source address: https://github.com/hpcaitech/ColossalAI/tree/main/examples/images/diffusion Our codebase for the diffusion models builds heavily on OpenAI's ADM codebase , lucidrains, Stable Diffusion, Lightning and Hugging Face. Thanks for open-sourcing! We also write a blog post about it. https://medium.com/@yangyou_berkeley/diffusion-pretraining-and-hardware-fine-tuning-can-be-almost-7x-cheaper-85e970fe207b Glad to know your thoughts about our work! Images Generated by Stable Diffusion submitted by /u/HPCAI-Tech [link] [comments]  ( 45 min )

I have the idea that videogames in the future will not need voice actors as the AI would be good enough to generate natural sounding voices as good as Uncharted voice acting on the fly based on anything you type which also means you would not be stuck with pre chosen dialogue options. When would this feasibly be possible? submitted by /u/marcustrelle [link] [comments]  ( 47 min )

Hi, I'm somewhat new to RL and new to sparse reward problems. I am practicing by building an agent to drive a sim car down a highway. First iteration: stay in lane (no steering), no other traffic, just drive to the end of the road as fast as possible without exceeding speed limit. I feel like this is about as simple as RL gets, but it is not working! I must be overlooking something fundamental, and would be grateful for any advice. NN observations from the environment are distance to end, current speed, acceleration from current and previous time step. NN output is acceleration. Both observations and actions are continuous. Speed is allowed to go above speed limit to handle future capabilities, but _is not desirable_ . Therefore, reward is large upon completion, size inversely proportional to the number of time steps taken to reach the end,. Also, there is a modest negative reward for each time step car is above speed limit, and it is proportional to difference above the speed limit. Speed limit violation penalty is larger than incremental completion reward to be gained by driving faster. I am training it with Ray/RLlib 2.0 with a multitude of hyperparm tuning over a few weeks, using both PPO and DDPG. It cannot find a solution. The best solutions I get generate very jumpy accels during inference, and the speed changes pretty slowly and is all over the place, giving sub-optimal episode rewards. I've tried adding various other reward elements, such as for smooth acceleration (jerk), but I'm afraid these are muddying the picture. submitted by /u/New-Resolution3496 [link] [comments]  ( 54 min )

How does divergence differ in Policy gradient vs in value based methods ? Thanks submitted by /u/aabra__ka__daabra [link] [comments]  ( 54 min )

submitted by /u/kenickh [link] [comments]  ( 44 min )

Context: I'm making a school project on face recognition security cameras in cities, where if a crime happens we search for the suspect in a pre-classified database of faces. So far, all of this is theoretical and I have no idea how to implement this (using my phone's camera for example but that's out of the scope of this post). Now I know that there are multiple python face recognition libraries out there, but I really want to get the coordinates of the face after classification. That'll make it easy for me to find the face of the suspect. I don't know if I made the question clear, but I'm ready to answer all of your questions. Thank you. submitted by /u/DtomperYT [link] [comments]  ( 45 min )

Score-based generative models learn a family of noise-conditional score functions corresponding to the data density perturbed with increasingly large amounts of noise. These perturbed data densities are tied together by the Fokker-Planck equation (FPE), a PDE governing the spatial-temporal evolution of a density undergoing a diffusion process. In this work, we derive a corresponding equation characterizing the noise-conditional scores of the perturbed data densities (i.e., their gradients), termed the score FPE. Surprisingly, despite impressive empirical performance, we observe that scores learned via denoising score matching (DSM) do not satisfy the underlying score FPE. We mathematically analyze three implications of satisfying the score FPE and a potential explanation for why the score FPE is not satisfied in practice. At last, we propose to regularize the DSM objective to enforce satisfaction of the score FPE, and show its effectiveness on synthetic data and MNIST.  ( 2 min )

Decision forests, including random forests and gradient boosting trees, remain the leading machine learning methods for many real-world data problems, specifically on tabular data. However, current standard implementations only operate in batch mode, and therefore cannot incrementally update when more data arrive. Several previous works developed streaming trees and ensembles to overcome this limitation. Nonetheless, we found that those state-of-the-art algorithms suffer from a number of drawbacks, including poor performance on some problems and high memory usage on others. We therefore developed the simplest possible extension of decision trees we could think of: given new data, simply update existing trees by continuing to grow them, and replace some old trees with new ones to control the total number of trees. On three standard datasets, we illustrate that our approach, Stream Decision Forest (SDF), does not suffer from either of the aforementioned limitations. In a benchmark suite containing 72 classification problems (the OpenML-CC18 data suite), we illustrate that our approach often performs as well, and sometimes better even, than the batch mode decision forest algorithm. Thus, SDFs establish a simple standard for streaming trees and forests that could readily be applied to many real-world problems, including those with distribution drift and continual learning.  ( 3 min )

Large language models have been widely adopted but require significant GPU memory for inference. We develop a procedure for Int8 matrix multiplication for feed-forward and attention projection layers in transformers, which cut the memory needed for inference by half while retaining full precision performance. With our method, a 175B parameter 16/32-bit checkpoint can be loaded, converted to Int8, and used immediately without performance degradation. This is made possible by understanding and working around properties of highly systematic emergent features in transformer language models that dominate attention and transformer predictive performance. To cope with these features, we develop a two-part quantization procedure, LLM.int8(). We first use vector-wise quantization with separate normalization constants for each inner product in the matrix multiplication, to quantize most of the features. However, for the emergent outliers, we also include a new mixed-precision decomposition scheme, which isolates the outlier feature dimensions into a 16-bit matrix multiplication while still more than 99.9% of values are multiplied in 8-bit. Using LLM.int8(), we show empirically it is possible to perform inference in LLMs with up to 175B parameters without any performance degradation. This result makes such models much more accessible, for example making it possible to use OPT-175B/BLOOM on a single server with consumer GPUs. We open-source our software.  ( 2 min )

Simulation-based inference (SBI) solves statistical inverse problems by repeatedly running a stochastic simulator and inferring posterior distributions from model-simulations. To improve simulation efficiency, several inference methods take a sequential approach and iteratively adapt the proposal distributions from which model simulations are generated. However, many of these sequential methods are difficult to use in practice, both because the resulting optimisation problems can be challenging and efficient diagnostic tools are lacking. To overcome these issues, we present Truncated Sequential Neural Posterior Estimation (TSNPE). TSNPE performs sequential inference with truncated proposals, sidestepping the optimisation issues of alternative approaches. In addition, TSNPE allows to efficiently perform coverage tests that can scale to complex models with many parameters. We demonstrate that TSNPE performs on par with previous methods on established benchmark tasks. We then apply TSNPE to two challenging problems from neuroscience and show that TSNPE can successfully obtain the posterior distributions, whereas previous methods fail. Overall, our results demonstrate that TSNPE is an efficient, accurate, and robust inference method that can scale to challenging scientific models.  ( 2 min )

Despite being responsible for state-of-the-art results in several computer vision and natural language processing tasks, neural networks have faced harsh criticism due to some of their current shortcomings. One of them is that neural networks are correlation machines prone to model biases within the data instead of focusing on actual useful causal relationships. This problem is particularly serious in application domains affected by aspects such as race, gender, and age. To prevent models from incurring on unfair decision-making, the AI community has concentrated efforts in correcting algorithmic biases, giving rise to the research area now widely known as fairness in AI. In this survey paper, we provide an in-depth overview of the main debiasing methods for fairness-aware neural networks in the context of vision and language research. We propose a novel taxonomy to better organize the literature on debiasing methods for fairness, and we discuss the current challenges, trends, and important future work directions for the interested researcher and practitioner.  ( 2 min )

In order to deal with variant-length long videos, prior works extract multi-modal features and fuse them to predict students' engagement intensity. In this paper, we present a new end-to-end method Class Attention in Video Transformer (CavT), which involves a single vector to process class embedding and to uniformly perform end-to-end learning on variant-length long videos and fixed-length short videos. Furthermore, to address the lack of sufficient samples, we propose a binary-order representatives sampling method (BorS) to add multiple video sequences of each video to augment the training set. BorS+CavT not only achieves the state-of-the-art MSE (0.0495) on the EmotiW-EP dataset, but also obtains the state-of-the-art MSE (0.0377) on the DAiSEE dataset. The code and models have been made publicly available at https://github.com/mountainai/cavt.  ( 2 min )

Training reinforcement learning (RL) agents using scalar reward signals is often infeasible when an environment has sparse and non-Markovian rewards. Moreover, handcrafting these reward functions before training is prone to misspecification, especially when the environment's dynamics are only partially known. This paper proposes a novel pipeline for learning non-Markovian task specifications as succinct finite-state `task automata' from episodes of agent experience within unknown environments. We leverage two key algorithmic insights. First, we learn a product MDP, a model composed of the specification's automaton and the environment's MDP (both initially unknown), by treating the product MDP as a partially observable MDP and using the well-known Baum-Welch algorithm for learning hidden Markov models. Second, we propose a novel method for distilling the task automaton (assumed to be a deterministic finite automaton) from the learnt product MDP. Our learnt task automaton enables the decomposition of a task into its constituent sub-tasks, which improves the rate at which an RL agent can later synthesise an optimal policy. It also provides an interpretable encoding of high-level environmental and task features, so a human can readily verify that the agent has learnt coherent tasks with no misspecifications. In addition, we take steps towards ensuring that the learnt automaton is environment-agnostic, making it well-suited for use in transfer learning. Finally, we provide experimental results compared with two baselines to illustrate our algorithm's performance in different environments and tasks.  ( 3 min )

Obtaining a dynamic population distribution is key to many decision-making processes such as urban planning, disaster management and most importantly helping the government to better allocate socio-technical supply. For the aspiration of these objectives, good population data is essential. The traditional method of collecting population data through the census is expensive and tedious. In recent years, statistical and machine learning methods have been developed to estimate population distribution. Most of the methods use data sets that are either developed on a small scale or not publicly available yet. Thus, the development and evaluation of new methods become challenging. We fill this gap by providing a comprehensive data set for population estimation in 98 European cities. The data set comprises a digital elevation model, local climate zone, land use proportions, nighttime lights in combination with multi-spectral Sentinel-2 imagery, and data from the Open Street Map initiative. We anticipate that it would be a valuable addition to the research community for the development of sophisticated approaches in the field of population estimation.  ( 2 min )

Modern multi-agent reinforcement learning frameworks rely on centralized training and reward shaping to perform well. However, centralized training and dense rewards are not readily available in the real world. Current multi-agent algorithms struggle to learn in the alternative setup of decentralized training or sparse rewards. To address these issues, we propose a self-supervised intrinsic reward ELIGN - expectation alignment - inspired by the self-organization principle in Zoology. Similar to how animals collaborate in a decentralized manner with those in their vicinity, agents trained with expectation alignment learn behaviors that match their neighbors' expectations. This allows the agents to learn collaborative behaviors without any external reward or centralized training. We demonstrate the efficacy of our approach across 6 tasks in the multi-agent particle and the complex Google Research football environments, comparing ELIGN to sparse and curiosity-based intrinsic rewards. When the number of agents increases, ELIGN scales well in all multi-agent tasks except for one where agents have different capabilities. We show that agent coordination improves through expectation alignment because agents learn to divide tasks amongst themselves, break coordination symmetries, and confuse adversaries. These results identify tasks where expectation alignment is a more useful strategy than curiosity-driven exploration for multi-agent coordination, enabling agents to do zero-shot coordination.  ( 2 min )

Stable Diffusion is a recent open-source image generation model comparable to proprietary models such as DALLE, Imagen, or Parti. Stable Diffusion comes with a safety filter that aims to prevent generating explicit images. Unfortunately, the filter is obfuscated and poorly documented. This makes it hard for users to prevent misuse in their applications, and to understand the filter's limitations and improve it. We first show that it is easy to generate disturbing content that bypasses the safety filter. We then reverse-engineer the filter and find that while it aims to prevent sexual content, it ignores violence, gore, and other similarly disturbing content. Based on our analysis, we argue safety measures in future model releases should strive to be fully open and properly documented to stimulate security contributions from the community.  ( 2 min )

Spectral methods provide consistent estimators for community detection in dense graphs. However, their performance deteriorates as the graphs become sparser. In this work we consider a random graph model that can produce graphs at different levels of sparsity, and we show that graph neural networks can outperform spectral methods on sparse graphs. We illustrate the results with numerical examples in both synthetic and real graphs.  ( 2 min )

In domain adaptation, when there is a large distance between the source and target domains, the prediction performance will degrade. Gradual domain adaptation is one of the solutions to such an issue, assuming that we have access to intermediate domains, which shift gradually from the source to the target domain. In previous works, it was assumed that the number of samples in the intermediate domains was sufficiently large; hence, self-training was possible without the need for labeled data. If the number of accessible intermediate domains is restricted, the distances between domains become large, and self-training will fail. Practically, the cost of samples in intermediate domains will vary, and it is natural to consider that the closer an intermediate domain is to the target domain, the higher the cost of obtaining samples from the intermediate domain is. To solve the trade-off between cost and accuracy, we propose a framework that combines multifidelity and active domain adaptation. The effectiveness of the proposed method is evaluated by experiments with real-world datasets.  ( 2 min )

Bilevel optimization, the problem of minimizing a value function which involves the arg-minimum of another function, appears in many areas of machine learning. In a large scale empirical risk minimization setting where the number of samples is huge, it is crucial to develop stochastic methods, which only use a few samples at a time to progress. However, computing the gradient of the value function involves solving a linear system, which makes it difficult to derive unbiased stochastic estimates. To overcome this problem we introduce a novel framework, in which the solution of the inner problem, the solution of the linear system, and the main variable evolve at the same time. These directions are written as a sum, making it straightforward to derive unbiased estimates. The simplicity of our approach allows us to develop global variance reduction algorithms, where the dynamics of all variables is subject to variance reduction. We demonstrate that SABA, an adaptation of the celebrated SAGA algorithm in our framework, has $O(\frac1T)$ convergence rate, and that it achieves linear convergence under Polyak-Lojasciewicz assumption. This is the first stochastic algorithm for bilevel optimization that verifies either of these properties. Numerical experiments validate the usefulness of our method.

Prediction failures of machine learning models often arise from deficiencies in training data, such as incorrect labels, outliers, and selection biases. However, such data points that are responsible for a given failure mode are generally not known a priori, let alone a mechanism for repairing the failure. This work draws on the Bayesian view of continual learning, and develops a generic framework for both, identifying training examples that have given rise to the target failure, and fixing the model through erasing information about them. This framework naturally allows leveraging recent advances in continual learning to this new problem of model repairment, while subsuming the existing works on influence functions and data deletion as specific instances. Experimentally, the proposed approach outperforms the baselines for both identification of detrimental training data and fixing model failures in a generalisable manner.

A key goal of unsupervised learning is to go beyond density estimation and sample generation to reveal the structure inherent within observed data. Such structure can be expressed in the pattern of interactions between explanatory latent variables captured through a probabilistic graphical model. Although the learning of structured graphical models has a long history, much recent work in unsupervised modelling has instead emphasised flexible deep-network-based generation, either transforming independent latent generators to model complex data or assuming that distinct observed variables are derived from different latent nodes. Here, we extend amortised variational inference to incorporate structured factors over multiple variables, able to capture the observation-induced posterior dependence between latents that results from ``explaining away'' and thus allow complex observations to depend on multiple nodes of a structured graph. We show that appropriately parametrised factors can be combined efficiently with variational message passing in rich graphical structures. We instantiate the framework in nonlinear Gaussian Process Factor Analysis, evaluating the structured recognition framework using synthetic data from known generative processes. We fit the GPFA model to high-dimensional neural spike data from the hippocampus of freely moving rodents, where the model successfully identifies latent signals that correlate with behavioural covariates.

Current state-of-the-art deep neural networks for image classification are made up of 10 - 100 million learnable weights and are therefore inherently prone to overfitting. The complexity of the weight count can be seen as a function of the number of channels, the spatial extent of the input and the number of layers of the network. Due to the use of convolutional layers the scaling of weight complexity is usually linear with regards to the resolution dimensions, but remains quadratic with respect to the number of channels. Active research in recent years in terms of using multigrid inspired ideas in deep neural networks have shown that on one hand a significant number of weights can be saved by appropriate weight sharing and on the other that a hierarchical structure in the channel dimension can improve the weight complexity to linear. In this work, we combine these multigrid ideas to introduce a joint framework of multigrid inspired architectures, that exploit multigrid structures in all relevant dimensions to achieve linear weight complexity scaling and drastically reduced weight counts. Our experiments show that this structured reduction in weight count is able to reduce overfitting and thus shows improved performance over state-of-the-art ResNet architectures on typical image classification benchmarks at lower network complexity.  ( 2 min )

We propose a Randomised Subspace Gauss-Newton (R-SGN) algorithm for solving nonlinear least-squares optimization problems, that uses a sketched Jacobian of the residual in the variable domain and solves a reduced linear least-squares on each iteration. A sublinear global rate of convergence result is presented for a trust-region variant of R-SGN, with high probability, which matches deterministic counterpart results in the order of the accuracy tolerance. Promising preliminary numerical results are presented for R-SGN on logistic regression and on nonlinear regression problems from the CUTEst collection.

This paper aims to quantify uncertainty in traffic state estimation (TSE) using the generative adversarial network based physics-informed deep learning (PIDL). The uncertainty of the focus arises from fundamental diagrams, in other words, the mapping from traffic density to velocity. To quantify uncertainty for the TSE problem is to characterize the robustness of predicted traffic states. Since its inception, generative adversarial networks (GAN) have become a popular probabilistic machine learning framework. In this paper, we will inform the GAN based predictions using stochastic traffic flow models and develop a GAN based PIDL framework for TSE, named ``PhysGAN-TSE". By conducting experiments on a real-world dataset, the Next Generation SIMulation (NGSIM) dataset, this method is shown to be more robust for uncertainty quantification than the pure GAN model or pure traffic flow models. Two physics models, the Lighthill-Whitham-Richards (LWR) and the Aw-Rascle-Zhang (ARZ) models, are compared as the physics components for the PhysGAN, and results show that the ARZ-based PhysGAN achieves a better performance than the LWR-based one.

Sampling is ubiquitous in machine learning methodologies. Due to the growth of large datasets and model complexity, we want to learn and adapt the sampling process while training a representation. Towards achieving this grand goal, a variety of sampling techniques have been proposed. However, most of them either use a fixed sampling scheme or adjust the sampling scheme based on simple heuristics. They cannot choose the best sample for model training in different stages. Inspired by "Think, Fast and Slow" (System 1 and System 2) in cognitive science, we propose a reward-guided sampling strategy called Adaptive Sample with Reward (ASR) to tackle this challenge. To the best of our knowledge, this is the first work utilizing reinforcement learning (RL) to address the sampling problem in representation learning. Our approach optimally adjusts the sampling process to achieve optimal performance. We explore geographical relationships among samples by distance-based sampling to maximize overall cumulative reward. We apply ASR to the long-standing sampling problems in similarity-based loss functions. Empirical results in information retrieval and clustering demonstrate ASR's superb performance across different datasets. We also discuss an engrossing phenomenon which we name as "ASR gravity well" in experiments.

Reinforcement learning (RL) is applied in a wide variety of fields. RL enables agents to learn tasks autonomously by interacting with the environment. The more critical the tasks are, the higher the demand for the robustness of the RL systems. Causal RL combines RL and causal inference to make RL more robust. Causal RL agents use a causal representation to capture the invariant causal mechanisms that can be transferred from one task to another. Currently, there is limited research in Causal RL, and existing solutions are usually not complete or feasible for real-world applications. In this work, we propose CausalCF, the first complete Causal RL solution incorporating ideas from Causal Curiosity and CoPhy. Causal Curiosity provides an approach for using interventions, and CoPhy is modified to enable the RL agent to perform counterfactuals. We apply CausalCF to complex robotic tasks and show that it improves the RL agent's robustness using a realistic simulation environment called CausalWorld.  ( 2 min )

Exploration is critical for deep reinforcement learning in complex environments with high-dimensional observations and sparse rewards. To address this problem, recent approaches proposed to leverage intrinsic rewards to improve exploration, such as novelty-based exploration and prediction-based exploration. However, many intrinsic reward modules require sophisticated structures and representation learning, resulting in prohibitive computational complexity and unstable performance. In this paper, we propose Rewarding Episodic Visitation Discrepancy (REVD), a computation-efficient and quantified exploration method. More specifically, REVD provides intrinsic rewards by evaluating the R\'enyi divergence-based visitation discrepancy between episodes. To make efficient divergence estimation, a k-nearest neighbor estimator is utilized with a randomly-initialized state encoder. Finally, the REVD is tested on Atari games and PyBullet Robotics Environments. Extensive experiments demonstrate that REVD can significantly improves the sample efficiency of reinforcement learning algorithms and outperforms the benchmarking methods.

The energy sector is facing rapid changes in the transition towards clean renewable sources. However, the growing share of volatile, fluctuating renewable generation such as wind or solar energy has already led to an increase in power grid congestion and network security concerns. Grid operators mitigate these by modifying either generation or demand (redispatching, curtailment, flexible loads). Unfortunately, redispatching of fossil generators leads to excessive grid operation costs and higher emissions, which is in direct opposition to the decarbonization of the energy sector. In this paper, we propose an AlphaZero-based grid topology optimization agent as a non-costly, carbon-free congestion management alternative. Our experimental evaluation confirms the potential of topology optimization for power grid operation, achieves a reduction of the average amount of required redispatching by 60%, and shows the interoperability with traditional congestion management methods. Our approach also ranked 1st in the WCCI 2022 Learning to Run a Power Network (L2RPN) competition. Based on our findings, we identify and discuss open research problems as well as technical challenges for a productive system on a real power grid.

In this paper, we introduce a regularized mean-field game and study learning of this game under an infinite-horizon discounted reward function. Regularization is introduced by adding a strongly concave regularization function to the one-stage reward function in the classical mean-field game model. We establish a value iteration based learning algorithm to this regularized mean-field game using fitted Q-learning. The regularization term in general makes reinforcement learning algorithm more robust to the system components. Moreover, it enables us to establish error analysis of the learning algorithm without imposing restrictive convexity assumptions on the system components, which are needed in the absence of a regularization term.

Background: Beta-amyloid (A$\beta$) plaques and tau protein tangles in the brain are the defining 'A' and 'T' hallmarks of Alzheimer's disease (AD), and together with structural atrophy detectable on brain magnetic resonance imaging (MRI) scans as one of the neurodegenerative ('N') biomarkers comprise the ''ATN framework'' of AD. Current methods to detect A$\beta$/tau pathology include cerebrospinal fluid (CSF; invasive), positron emission tomography (PET; costly and not widely available), and blood-based biomarkers (BBBM; promising but mainly still in development). Objective: To develop a non-invasive and widely available structural MRI-based framework to quantitatively predict the amyloid and tau measurements. Methods: With MRI-based hippocampal multivariate morphometry statistics (MMS) features, we apply our Patch Analysis-based Surface Correntropy-induced Sparse coding and max-pooling (PASCS-MP) method combined with the ridge regression model to individual amyloid/tau measure prediction. Results: We evaluate our framework on amyloid PET/MRI and tau PET/MRI datasets from the Alzheimer's Disease Neuroimaging Initiative (ADNI). Each subject has one pair consisting of a PET image and MRI scan, collected at about the same time. Experimental results suggest that amyloid/tau measurements predicted with our PASCP-MP representations are closer to the real values than the measures derived from other approaches, such as hippocampal surface area, volume, and shape morphometry features based on spherical harmonics (SPHARM). Conclusion: The MMS-based PASCP-MP is an efficient tool that can bridge hippocampal atrophy with amyloid and tau pathology and thus help assess disease burden, progression, and treatment effects.  ( 3 min )

Many datasets are biased, namely they contain easy-to-learn features that are highly correlated with the target class only in the dataset but not in the true underlying distribution of the data. For this reason, learning unbiased models from biased data has become a very relevant research topic in the last years. In this work, we tackle the problem of learning representations that are robust to biases. We first present a margin-based theoretical framework that allows us to clarify why recent contrastive losses (InfoNCE, SupCon, etc.) can fail when dealing with biased data. Based on that, we derive a novel formulation of the supervised contrastive loss (epsilon-SupInfoNCE), providing more accurate control of the minimal distance between positive and negative samples. Furthermore, thanks to our theoretical framework, we also propose FairKL, a new debiasing regularization loss, that works well even with extremely biased data. We validate the proposed losses on standard vision datasets including CIFAR10, CIFAR100, and ImageNet, and we assess the debiasing capability of FairKL with epsilon-SupInfoNCE, reaching state-of-the-art performance on a number of biased datasets, including real instances of biases in the wild.  ( 2 min )

Gaussian process regression (GPR) has been a well-known machine learning method for various applications such as uncertainty quantifications (UQ). However, GPR is inherently a data-driven method, which requires sufficiently large dataset. If appropriate physics constraints (e.g. expressed in partial differential equations) can be incorporated, the amount of data can be greatly reduced and the accuracy further improved. In this work, we propose a hybrid data driven-physics constrained Gaussian process regression framework. We encode the physics knowledge with Boltzmann-Gibbs distribution and derive our model through maximum likelihood (ML) approach. We apply deep kernel learning method. The proposed model learns from both data and physics constraints through the training of a deep neural network, which serves as part of the covariance function in GPR. The proposed model achieves good results in high-dimensional problem, and correctly propagate the uncertainty, with very limited labelled data provided.

Federated learning (FL) is an emerging learning paradigm without violating users' privacy. However, large model size and frequent model aggregation cause serious communication bottleneck for FL. To reduce the communication volume, techniques such as model compression and quantization have been proposed. Besides the fixed-bit quantization, existing adaptive quantization schemes use ascending-trend quantization, where the quantization level increases with the training stages. In this paper, we first investigate the impact of quantization on model convergence, and show that the optimal quantization level is directly related to the range of the model updates. Given the model is supposed to converge with the progress of the training, the range of the model updates will gradually shrink, indicating that the quantization level should decrease with the training stages. Based on the theoretical analysis, a descending quantization scheme named FedDQ is proposed. Experimental results show that the proposed descending quantization scheme can save up to 65.2% of the communicated bit volume and up to 68% of the communication rounds, when compared with existing schemes.

Offline goal-conditioned reinforcement learning (GCRL) promises general-purpose skill learning in the form of reaching diverse goals from purely offline datasets. We propose $\textbf{Go}$al-conditioned $f$-$\textbf{A}$dvantage $\textbf{R}$egression (GoFAR), a novel regression-based offline GCRL algorithm derived from a state-occupancy matching perspective; the key intuition is that the goal-reaching task can be formulated as a state-occupancy matching problem between a dynamics-abiding imitator agent and an expert agent that directly teleports to the goal. In contrast to prior approaches, GoFAR does not require any hindsight relabeling and enjoys uninterleaved optimization for its value and policy networks. These distinct features confer GoFAR with much better offline performance and stability as well as statistical performance guarantee that is unattainable for prior methods. Furthermore, we demonstrate that GoFAR's training objectives can be re-purposed to learn an agent-independent goal-conditioned planner from purely offline source-domain data, which enables zero-shot transfer to new target domains. Through extensive experiments, we validate GoFAR's effectiveness in various problem settings and tasks, significantly outperforming prior state-of-art. Notably, on a real robotic dexterous manipulation task, while no other method makes meaningful progress, GoFAR acquires complex manipulation behavior that successfully accomplishes diverse goals.

Transformers are quickly becoming one of the most heavily applied deep learning architectures across modalities, domains, and tasks. In vision, on top of ongoing efforts into plain transformers, hierarchical transformers have also gained significant attention, thanks to their performance and easy integration into existing frameworks. These models typically employ localized attention mechanisms, such as the sliding-window Neighborhood Attention (NA) or Swin Transformer's Shifted Window Self Attention. While effective at reducing self attention's quadratic complexity, local attention weakens two of the most desirable properties of self attention: long range inter-dependency modeling, and global receptive field. In this paper, we introduce Dilated Neighborhood Attention (DiNA), a natural, flexible and efficient extension to NA that can capture more global context and expand receptive fields exponentially at no additional cost. NA's local attention and DiNA's sparse global attention complement each other, and therefore we introduce Dilated Neighborhood Attention Transformer (DiNAT), a new hierarchical vision transformer built upon both. DiNAT variants enjoy significant improvements over strong baselines such as NAT, Swin, and ConvNeXt. Our large model is faster and ahead of its Swin counterpart by 1.5% box AP in COCO object detection, 1.3% mask AP in COCO instance segmentation, and 1.1% mIoU in ADE20K semantic segmentation. Paired with new frameworks, our large variant is the new state of the art panoptic segmentation model on COCO (58.2 PQ) and ADE20K (48.5 PQ), and instance segmentation model on Cityscapes (44.5 AP) and ADE20K (35.4 AP) (no extra data). It also matches the state of the art specialized semantic segmentation models on ADE20K (58.2 mIoU), and ranks second on Cityscapes (84.5 mIoU) (no extra data). We open-source our project.

The extensive surviving corpus of the ancient scholar Plutarch of Chaeronea (ca. 45-120 CE) also contains several texts which, according to current scholarly opinion, did not originate with him and are therefore attributed to an anonymous author Pseudo-Plutarch. These include, in particular, the work Placita Philosophorum (Quotations and Opinions of the Ancient Philosophers), which is extremely important for the history of ancient philosophy. Little is known about the identity of that anonymous author and its relation to other authors from the same period. This paper presents a BERT language model for Ancient Greek. The model discovers previously unknown statistical properties relevant to these literary, philosophical, and historical problems and can shed new light on this authorship question. In particular, the Placita Philosophorum, together with one of the other Pseudo-Plutarch texts, shows similarities with the texts written by authors from an Alexandrian context (2nd/3rd century CE).

Convolutional Neural Networks (CNNs) are commonly thought to recognise objects by learning increasingly complex representations of object shapes. Some recent studies suggest a more important role of image textures. We here put these conflicting hypotheses to a quantitative test by evaluating CNNs and human observers on images with a texture-shape cue conflict. We show that ImageNet-trained CNNs are strongly biased towards recognising textures rather than shapes, which is in stark contrast to human behavioural evidence and reveals fundamentally different classification strategies. We then demonstrate that the same standard architecture (ResNet-50) that learns a texture-based representation on ImageNet is able to learn a shape-based representation instead when trained on "Stylized-ImageNet", a stylized version of ImageNet. This provides a much better fit for human behavioural performance in our well-controlled psychophysical lab setting (nine experiments totalling 48,560 psychophysical trials across 97 observers) and comes with a number of unexpected emergent benefits such as improved object detection performance and previously unseen robustness towards a wide range of image distortions, highlighting advantages of a shape-based representation.

Autonomous materials research systems allow scientists to fail smarter, learn faster, and spend less resources in their studies. As these systems grow in number, capability, and complexity, a new challenge arises - how will they work together across large facilities? We explore one solution to this question - a multi-agent laboratory control frame-work. We demonstrate this framework with an autonomous material science lab in mind - where information from diverse research campaigns can be combined to ad-dress the scientific question at hand. This framework can 1) account for realistic resource limits such as equipment use, 2) allow for machine learning agents with diverse learning capabilities and goals capable of running re-search campaigns, and 3) facilitate multi-agent collaborations and teams. The framework is dubbed the MULTI-agent auTonomous fAcilities - a Scalable frameworK aka MULTITASK. MULTITASK makes possible facility-wide simulations, including agent-instrument and agent-agent interactions. Through MULTITASK's modularity, real-world facilities can come on-line in phases, with simulated instruments gradually replaced by real-world instruments. We hope MULTITASK opens new areas of study in large-scale autonomous and semi-autonomous research campaigns and facilities.

Many problems in science and engineering can be represented by a set of partial differential equations (PDEs) through mathematical modeling. Mechanism-based computation following PDEs has long been an essential paradigm for studying topics such as computational fluid dynamics, multiphysics simulation, molecular dynamics, or even dynamical systems. It is a vibrant multi-disciplinary field of increasing importance and with extraordinary potential. At the same time, solving PDEs efficiently has been a long-standing challenge. Generally, except for a few differential equations for which analytical solutions are directly available, many more equations must rely on numerical approaches such as the finite difference method, finite element method, finite volume method, and boundary element method to be solved approximately. These numerical methods usually divide a continuous problem domain into discrete points and then concentrate on solving the system at each of those points. Though the effectiveness of these traditional numerical methods, the vast number of iterative operations accompanying each step forward significantly reduces the efficiency. Recently, another equally important paradigm, data-based computation represented by deep learning, has emerged as an effective means of solving PDEs. Surprisingly, a comprehensive review for this interesting subfield is still lacking. This survey aims to categorize and review the current progress on Deep Neural Networks (DNNs) for PDEs. We discuss the literature published in this subfield over the past decades and present them in a common taxonomy, followed by an overview and classification of applications of these related methods in scientific research and engineering scenarios. The origin, developing history, character, sort, as well as the future trends in each potential direction of this subfield are also introduced.  ( 3 min )

Model extraction is a major threat for embedded deep neural network models that leverages an extended attack surface. Indeed, by physically accessing a device, an adversary may exploit side-channel leakages to extract critical information of a model (i.e., its architecture or internal parameters). Different adversarial objectives are possible including a fidelity-based scenario where the architecture and parameters are precisely extracted (model cloning). We focus this work on software implementation of deep neural networks embedded in a high-end 32-bit microcontroller (Cortex-M7) and expose several challenges related to fidelity-based parameters extraction through side-channel analysis, from the basic multiplication operation to the feed-forward connection through the layers. To precisely extract the value of parameters represented in the single-precision floating point IEEE-754 standard, we propose an iterative process that is evaluated with both simulations and traces from a Cortex-M7 target. To our knowledge, this work is the first to target such an high-end 32-bit platform. Importantly, we raise and discuss the remaining challenges for the complete extraction of a deep neural network model, more particularly the critical case of biases.  ( 2 min )

There has been a recent surge of interest in the study of asymptotic reconstruction performance in various cases of generalized linear estimation problems in the teacher-student setting, especially for the case of i.i.d standard normal matrices. Here, we go beyond these matrices, and prove an analytical formula for the reconstruction performance of convex generalized linear models with rotationally-invariant data matrices with arbitrary bounded spectrum, rigorously confirming, under suitable assumptions, a conjecture originally derived using the replica method from statistical physics. The proof is achieved by leveraging on message passing algorithms and the statistical properties of their iterates, allowing to characterize the asymptotic empirical distribution of the estimator. For sufficiently strongly convex problems, we show that the two-layer vector approximate message passing algorithm (2-MLVAMP) converges, where the convergence analysis is done by checking the stability of an equivalent dynamical system, which gives the result for such problems. We then show that, under a concentration assumption, an analytical continuation may be carried out to extend the result to convex (non-strongly) problems. We illustrate our claim with numerical examples on mainstream learning methods such as sparse logistic regression and linear support vector classifiers, showing excellent agreement between moderate size simulation and the asymptotic prediction.

Humans innately measure distance between instances in an unlabeled dataset using an unknown similarity function. Distance metrics can only serve as proxy for similarity in information retrieval of similar instances. Learning a good similarity function from human annotations improves the quality of retrievals. This work uses deep metric learning to learn these user-defined similarity functions from few annotations for a large football trajectory dataset. We adapt an entropy-based active learning method with recent work from triplet mining to collect easy-to-answer but still informative annotations from human participants and use them to train a deep convolutional network that generalizes to unseen samples. Our user study shows that our approach improves the quality of the information retrieval compared to a previous deep metric learning approach that relies on a Siamese network. Specifically, we shed light on the strengths and weaknesses of passive sampling heuristics and active learners alike by analyzing the participants' response efficacy. To this end, we collect accuracy, algorithmic time complexity, the participants' fatigue and time-to-response, qualitative self-assessment and statements, as well as the effects of mixed-expertise annotators and their consistency on model performance and transfer-learning.

Multiple lines of evidence strongly suggest that infection hotspots, where a single individual infects many others, play a key role in the transmission dynamics of COVID-19. However, most of the existing epidemiological models fail to capture this aspect by neither representing the sites visited by individuals explicitly nor characterizing disease transmission as a function of individual mobility patterns. In this work, we introduce a temporal point process modeling framework that specifically represents visits to the sites where individuals get in contact and infect each other. Under our model, the number of infections caused by an infectious individual naturally emerges to be overdispersed. Using an efficient sampling algorithm, we demonstrate how to estimate the transmission rate of infectious individuals at the sites they visit and in their households using Bayesian optimization and longitudinal case data. Simulations using fine-grained and publicly available demographic data and site locations from Bern, Switzerland showcase the flexibility of our framework. To facilitate research and analyses of other cities and regions, we release an open-source implementation of our framework.

Question answering models commonly have access to two sources of "knowledge" during inference time: (1) parametric knowledge - the factual knowledge encoded in the model weights, and (2) contextual knowledge - external knowledge (e.g., a Wikipedia passage) given to the model to generate a grounded answer. Having these two sources of knowledge entangled together is a core issue for generative QA models as it is unclear whether the answer stems from the given non-parametric knowledge or not. This unclarity has implications on issues of trust, interpretability and factuality. In this work, we propose a new paradigm in which QA models are trained to disentangle the two sources of knowledge. Using counterfactual data augmentation, we introduce a model that predicts two answers for a given question: one based on given contextual knowledge and one based on parametric knowledge. Our experiments on the Natural Questions dataset show that this approach improves the performance of QA models by making them more robust to knowledge conflicts between the two knowledge sources, while generating useful disentangled answers.

While there have been a number of remarkable breakthroughs in machine learning (ML), much of the focus has been placed on model development. However, to truly realize the potential of machine learning in real-world settings, additional aspects must be considered across the ML pipeline. Data-centric AI is emerging as a unifying paradigm that could enable such reliable end-to-end pipelines. However, this remains a nascent area with no standardized framework to guide practitioners to the necessary data-centric considerations or to communicate the design of data-centric driven ML systems. To address this gap, we propose DC-Check, an actionable checklist-style framework to elicit data-centric considerations at different stages of the ML pipeline: Data, Training, Testing, and Deployment. This data-centric lens on development aims to promote thoughtfulness and transparency prior to system development. Additionally, we highlight specific data-centric AI challenges and research opportunities. DC-Check is aimed at both practitioners and researchers to guide day-to-day development. As such, to easily engage with and use DC-Check and associated resources, we provide a DC-Check companion website (https://www.vanderschaar-lab.com/dc-check/). The website will also serve as an updated resource as methods and tooling evolve over time.

When evaluating quantities of interest that depend on the solutions to differential equations, we inevitably face the trade-off between accuracy and efficiency. Especially for parametrized, time dependent problems in engineering computations, it is often the case that acceptable computational budgets limit the availability of high-fidelity, accurate simulation data. Multi-fidelity surrogate modeling has emerged as an effective strategy to overcome this difficulty. Its key idea is to leverage many low-fidelity simulation data, less accurate but much faster to compute, to improve the approximations with limited high-fidelity data. In this work, we introduce a novel data-driven framework of multi-fidelity surrogate modeling for parametrized, time-dependent problems using long short-term memory (LSTM) networks, to enhance output predictions both for unseen parameter values and forward in time simultaneously - a task known to be particularly challenging for data-driven models. We demonstrate the wide applicability of the proposed approaches in a variety of engineering problems with high- and low-fidelity data generated through fine versus coarse meshes, small versus large time steps, or finite element full-order versus deep learning reduced-order models. Numerical results show that the proposed multi-fidelity LSTM networks not only improve single-fidelity regression significantly, but also outperform the multi-fidelity models based on feed-forward neural networks.

Countless signal processing applications include the reconstruction of signals from few indirect linear measurements. The design of effective measurement operators is typically constrained by the underlying hardware and physics, posing a challenging and often even discrete optimization task. While the potential of gradient-based learning via the unrolling of iterative recovery algorithms has been demonstrated, it has remained unclear how to leverage this technique when the set of admissible measurement operators is structured and discrete. We tackle this problem by combining unrolled optimization with Gumbel reparametrizations, which enable the computation of low-variance gradient estimates of categorical random variables. Our approach is formalized by GLODISMO (Gradient-based Learning of DIscrete Structured Measurement Operators). This novel method is easy-to-implement, computationally efficient, and extendable due to its compatibility with automatic differentiation. We empirically demonstrate the performance and flexibility of GLODISMO in several prototypical signal recovery applications, verifying that the learned measurement matrices outperform conventional designs based on randomization as well as discrete optimization baselines.

Federated learning has shown its advances recently but is still facing many challenges, such as how algorithms save communication resources and reduce computational costs, and whether they converge. To address these critical issues, we propose a hybrid federated learning algorithm (FedGiA) that combines the gradient descent and the inexact alternating direction method of multipliers. The proposed algorithm is more communication- and computation-efficient than several state-of-the-art algorithms theoretically and numerically. Moreover, it also converges globally under mild conditions.

The seminal work of Cohen and Peng introduced Lewis weight sampling to the theoretical computer science community, yielding fast row sampling algorithms for approximating $d$-dimensional subspaces of $\ell_p$ up to $(1+\epsilon)$ error. Several works have extended this important primitive to other settings, including the online coreset, sliding window, and adversarial streaming models. However, these results are only for $p\in\{1,2\}$, and results for $p=1$ require a suboptimal $\tilde O(d^2/\epsilon^2)$ samples. In this work, we design the first nearly optimal $\ell_p$ subspace embeddings for all $p\in(0,\infty)$ in the online coreset, sliding window, and the adversarial streaming models. In all three models, our algorithms store $\tilde O(d^{1\lor(p/2)}/\epsilon^2)$ rows. This answers a substantial generalization of the main open question of [BDMMUWZ2020], and gives the first results for all $p\notin\{1,2\}$. Towards our result, we give the first analysis of "one-shot'' Lewis weight sampling of sampling rows proportionally to their Lewis weights, with sample complexity $\tilde O(d^{p/2}/\epsilon^2)$ for $p>2$. Previously, this scheme was only known to have sample complexity $\tilde O(d^{p/2}/\epsilon^5)$, whereas $\tilde O(d^{p/2}/\epsilon^2)$ is known if a more sophisticated recursive sampling is used. The recursive sampling cannot be implemented online, thus necessitating an analysis of one-shot Lewis weight sampling. Our analysis uses a novel connection to online numerical linear algebra. As an application, we obtain the first one-pass streaming coreset algorithms for $(1+\epsilon)$ approximation of important generalized linear models, such as logistic regression and $p$-probit regression. Our upper bounds are parameterized by a complexity parameter $\mu$ introduced by [MSSW2018], and we show the first lower bounds showing that a linear dependence on $\mu$ is necessary.

Responding with multi-modal content has been recognized as an essential capability for an intelligent conversational agent. In this paper, we introduce the MMDialog dataset to better facilitate multi-modal conversation. MMDialog is composed of a curated set of 1.08 million real-world dialogues with 1.53 million unique images across 4,184 topics. MMDialog has two main and unique advantages. First, it is the largest multi-modal conversation dataset by the number of dialogues by 8x. Second, it contains massive topics to generalize the open-domain. To build engaging dialogue system with this dataset, we propose and normalize two response producing tasks based on retrieval and generative scenarios. In addition, we build two baselines for above tasks with state-of-the-art techniques and report their experimental performance. We also propose a novel evaluation metric MM-Relevance to measure the multi-modal responses. Our dataset and scripts are available in https://github.com/victorsungo/MMDialog.

In the future, powerful AI systems may be deployed in high-stakes settings, where a single failure could be catastrophic. One technique for improving AI safety in high-stakes settings is adversarial training, which uses an adversary to generate examples to train on in order to achieve better worst-case performance. In this work, we used a safe language generation task (``avoid injuries'') as a testbed for achieving high reliability through adversarial training. We created a series of adversarial training techniques -- including a tool that assists human adversaries -- to find and eliminate failures in a classifier that filters text completions suggested by a generator. In our task, we determined that we can set very conservative classifier thresholds without significantly impacting the quality of the filtered outputs. We found that adversarial training increased robustness to the adversarial attacks that we trained on -- doubling the time for our contractors to find adversarial examples both with our tool (from 13 to 26 minutes) and without (from 20 to 44 minutes) -- without affecting in-distribution performance. We hope to see further work in the high-stakes reliability setting, including more powerful tools for enhancing human adversaries and better ways to measure high levels of reliability, until we can confidently rule out the possibility of catastrophic deployment-time failures of powerful models.

Interpretability provides a means for humans to verify aspects of machine learning (ML) models and empower human+ML teaming in situations where the task cannot be fully automated. Different contexts require explanations with different properties. For example, the kind of explanation required to determine if an early cardiac arrest warning system is ready to be integrated into a care setting is very different from the type of explanation required for a loan applicant to help determine the actions they might need to take to make their application successful. Unfortunately, there is a lack of standardization when it comes to properties of explanations: different papers may use the same term to mean different quantities, and different terms to mean the same quantity. This lack of a standardized terminology and categorization of the properties of ML explanations prevents us from both rigorously comparing interpretable machine learning methods and identifying what properties are needed in what contexts. In this work, we survey properties defined in interpretable machine learning papers, synthesize them based on what they actually measure, and describe the trade-offs between different formulations of these properties. In doing so, we enable more informed selection of task-appropriate formulations of explanation properties as well as standardization for future work in interpretable machine learning.

Federated Learning (FL) is a machine learning paradigm that enables the training of a shared global model across distributed clients while keeping the training data local. While most prior work on designing systems for FL has focused on using stateful always running components, recent work has shown that components in an FL system can greatly benefit from the usage of serverless computing and Function-as-a-Service technologies. To this end, distributed training of models with severless FL systems can be more resource-efficient and cheaper than conventional FL systems. However, serverless FL systems still suffer from the presence of stragglers, i.e., slow clients due to their resource and statistical heterogeneity. While several strategies have been proposed for mitigating stragglers in FL, most methodologies do not account for the particular characteristics of serverless environments, i.e., cold-starts, performance variations, and the ephemeral stateless nature of the function instances. Towards this, we propose FedLesScan, a novel clustering-based semi-asynchronous training strategy, specifically tailored for serverless FL. FedLesScan dynamically adapts to the behaviour of clients and minimizes the effect of stragglers on the overall system. We implement our strategy by extending an open-source serverless FL system called FedLess. Moreover, we comprehensively evaluate our strategy using the 2nd generation Google Cloud Functions with four datasets and varying percentages of stragglers. Results from our experiments show that compared to other approaches FedLesScan reduces training time and cost by an average of 8% and 20% respectively while utilizing clients better with an average increase in the effective update ratio of 17.75%.

Accurate prediction of battery health is essential for real-world system management and lab-based experiment design. However, building a life-prediction model from different cycling conditions is still a challenge. Large lifetime variability results from both cycling conditions and initial manufacturing variability, and this -- along with the limited experimental resources usually available for each cycling condition -- makes data-driven lifetime prediction challenging. Here, a hierarchical Bayesian linear model is proposed for battery life prediction, combining both individual cell features (reflecting manufacturing variability) with population-wide features (reflecting the impact of cycling conditions on the population average). The individual features were collected from the first 100 cycles of data, which is around 5-10% of lifetime. The model is able to predict end of life with a root mean square error of 3.2 days and mean absolute percentage error of 8.6%, measured through 5-fold cross-validation, overperforming the baseline (non-hierarchical) model by around 12-13%.

We consider learning approximate Nash equilibria for discrete-time mean-field games with nonlinear stochastic state dynamics subject to both average and discounted costs. To this end, we introduce a mean-field equilibrium (MFE) operator, whose fixed point is a mean-field equilibrium (i.e. equilibrium in the infinite population limit). We first prove that this operator is a contraction, and propose a learning algorithm to compute an approximate mean-field equilibrium by approximating the MFE operator with a random one. Moreover, using the contraction property of the MFE operator, we establish the error analysis of the proposed learning algorithm. We then show that the learned mean-field equilibrium constitutes an approximate Nash equilibrium for finite-agent games.

Despite significant progress of generative models in the natural sciences, their controllability remains chal-lenging. One fundamentally missing aspect of molecular or protein generative models is an inductive bias that can reflect continuous properties of interest. To that end, we propose the Regression Transformer (RT), a novel method that abstracts regression as a conditional sequence modeling problem. This introduces a new paradigm of multitask language models which seamlessly bridge sequence regression and conditional sequence generation. We thoroughly demonstrate that, despite using a nominal-scale training objective, the RT matches or surpasses the performance of conventional regression models in property prediction tasks of small molecules, proteins and chemical reactions. Critically, priming the same model with continuous properties yields a highly competitive conditional generative model that outperforms specialized approaches in a substructure-constrained, property-driven molecule generation benchmark. Our dichotomous approach is facilitated by a novel, alternating training scheme that enables the model to decorate seed sequences by desired properties, e.g., to optimize reaction yield. In sum, the RT is the first report of a multitask model that concurrently excels at predictive and generative tasks in biochemistry. This finds particular application in property-driven, local exploration of the chemical or protein space and could pave the road toward foundation models in material design. The code to reproduce all experiments of the paper is available at: https://github.com/IBM/ regression-transformer

This paper studies the communication complexity of risk averse optimization over a network. The problem generalizes the well-studied risk-neutral finite-sum distributed optimization problem and its importance stems from the need to handle risk in an uncertain environment. For algorithms in the literature, there exists a gap in communication complexities for solving risk-averse and risk-neutral problems. We propose two distributed algorithms, namely the distributed risk averse optimization (DRAO) method and the distributed risk averse optimization with sliding (DRAO-S) method, to close the gap. Specifically, the DRAO method achieves the optimal communication complexity by assuming a certain saddle point subproblem can be easily solved in the server node. The DRAO-S method removes the strong assumption by introducing a novel saddle point sliding subroutine which only requires the projection over the ambiguity set $P$. We observe that the number of $P$-projections performed by DRAO-S is optimal. Moreover, we develop matching lower complexity bounds to show that communication complexities of both DRAO and DRAO-S are not improvable. Numerical experiments are conducted to demonstrate the encouraging empirical performance of the DRAO-S method.

Existing Domain Adaptation (DA) algorithms train target models to classify all samples in the target domain, but it fails to recognize the possibility that, within the target domain, some samples are closer to the source domain and thus should be classified by source domain models. In this paper, we develop a novel unsupervised DA algorithm, the Enforced Transfer, which employs an out-of-distribution detection algorithm to decide which model (i.e., source domain or target domain) to apply on the testing instance, i.e., divide-and-conquer. Instead of choosing the models at the instance-level, we make the choice of models at the layers of deep models. On three types of DA tasks, we outperform the state-of-the-art algorithms.

Taking inspiration from natural language embeddings, we present ASTROMER, a transformer-based model to create representations of light curves. ASTROMER was pre-trained in a self-supervised manner, requiring no human-labeled data. We used millions of R-band light sequences to adjust the ASTROMER weights. The learned representation can be easily adapted to other surveys by re-training ASTROMER on new sources. The power of ASTROMER consists of using the representation to extract light curve embeddings that can enhance the training of other models, such as classifiers or regressors. As an example, we used ASTROMER embeddings to train two neural-based classifiers that use labeled variable stars from MACHO, OGLE-III, and ATLAS. In all experiments, ASTROMER-based classifiers outperformed a baseline recurrent neural network trained on light curves directly when limited labeled data was available. Furthermore, using ASTROMER embeddings decreases computational resources needed while achieving state-of-the-art results. Finally, we provide a Python library that includes all the functionalities employed in this work. The library, main code, and pre-trained weights are available at https://github.com/astromer-science

Image generation has been a long sought-after but challenging task, and performing the generation task in an efficient manner is similarly difficult. Often researchers attempt to create a "one size fits all" generator, where there are few differences in the parameter space for drastically different datasets. Herein, we present a new transformer-based framework, dubbed StyleNAT, targeting high-quality image generation with superior efficiency and flexibility. At the core of our model, is a carefully designed framework that partitions attention heads to capture local and global information, which is achieved through using Neighborhood Attention (NA). With different heads able to pay attention to varying receptive fields, the model is able to better combine this information, and adapt, in a highly flexible manner, to the data at hand. StyleNAT attains a new SOTA FID score on FFHQ-256 with 2.046, beating prior arts with convolutional models such as StyleGAN-XL and transformers such as HIT and StyleSwin, and a new transformer SOTA on FFHQ-1024 with an FID score of 4.174. These results show a 6.4% improvement on FFHQ-256 scores when compared to StyleGAN-XL with a 28% reduction in the number of parameters and 56% improvement in sampling throughput. Code and models will be open-sourced at https://github.com/SHI-Labs/StyleNAT .

Privacy-preserving machine learning in data-sharing processes is an ever-critical task that enables collaborative training of Machine Learning (ML) models without the need to share the original data sources. It is especially relevant when an organization must assure that sensitive data remains private throughout the whole ML pipeline, i.e., training and inference phases. This paper presents an innovative framework that uses Representation Learning via autoencoders to generate privacy-preserving embedded data. Thus, organizations can share the data representation to increase machine learning models' performance in scenarios with more than one data source for a shared predictive downstream task.

We consider the problem of learning the structure underlying a Gaussian graphical model when the variables (or subsets thereof) are corrupted by independent noise. A recent line of work establishes that even for tree-structured graphical models, only partial structure recovery is possible and goes on to devise algorithms to identify the structure up to an (unavoidable) equivalence class of trees. We extend these results beyond trees and consider the model selection problem under noise for non tree-structured graphs, as tree graphs cannot model several real-world scenarios. Although unidentifiable, we show that, like the tree-structured graphs, the ambiguity is limited to an equivalence class. This limited ambiguity can help provide meaningful clustering information (even with noise), which is helpful in computer and social networks, protein-protein interaction networks, and power networks. Furthermore, we devise an algorithm based on a novel ancestral testing method for recovering the equivalence class. We complement these results with finite sample guarantees for the algorithm in the high-dimensional regime.

We propose a new framework for the sampling, compression, and analysis of distributions of point sets and other geometric objects embedded in Euclidean spaces. Nearest neighbors of points on a set of randomly selected rays are recorded into a tensor, called the RaySense signature. From the signature, statistical information about the data set, as well as certain geometrical information, can be extracted, independent of the ray set. We present a few examples illustrating applications of the proposed sampling strategy.

Some phenomena related to statistical noise which have been investigated by various authors under the framework of deep reinforcement learning (RL) algorithms are discussed. The following algorithms are examined: the deep Q-network (DQN), double DQN, deep deterministic policy gradient (DDPG), twin-delayed DDPG (TD3), and hill climbing algorithm. First, we consider overestimation, which is a harmful property resulting from noise. Then we deal with noise used for exploration, this is the useful noise. We discuss setting the noise parameter in the TD3 for typical PyBullet environments associated with articulate bodies such as HopperBulletEnv and Walker2DBulletEnv. In the appendix, in relation to the hill climbing algorithm, another example related to noise is considered - an example of adaptive noise.

Recent studies revealed that deep neural networks (DNNs) are exposed to backdoor threats when training with third-party resources (such as training samples or backbones). The backdoored model has promising performance in predicting benign samples, whereas its predictions can be maliciously manipulated by adversaries based on activating its backdoors with pre-defined trigger patterns. Currently, most of the existing backdoor attacks were conducted on the image classification under the targeted manner. In this paper, we reveal that these threats could also happen in object detection, posing threatening risks to many mission-critical applications ($e.g.$, pedestrian detection and intelligent surveillance systems). Specifically, we design a simple yet effective poison-only backdoor attack in an untargeted manner, based on task characteristics. We show that, once the backdoor is embedded into the target model by our attack, it can trick the model to lose detection of any object stamped with our trigger patterns. We conduct extensive experiments on the benchmark dataset, showing its effectiveness in both digital and physical-world settings and its resistance to potential defenses.

Accurate short-term traffic prediction plays a pivotal role in various smart mobility operation and management systems. Currently, most of the state-of-the-art prediction models are based on graph neural networks (GNNs), and the required training samples are proportional to the size of the traffic network. In many cities, the available amount of traffic data is substantially below the minimum requirement due to the data collection expense. It is still an open question to develop traffic prediction models with a small size of training data on large-scale networks. We notice that the traffic states of a node for the near future only depend on the traffic states of its localized neighborhoods, which can be represented using the graph relational inductive biases. In view of this, this paper develops a graph network (GN)-based deep learning model LocaleGN that depicts the traffic dynamics using localized data aggregating and updating functions, as well as the node-wise recurrent neural networks. LocaleGN is a light-weighted model designed for training on few samples without over-fitting, and hence it can solve the problem of few-sample traffic prediction. The proposed model is examined on predicting both traffic speed and flow with six datasets, and the experimental results demonstrate that LocaleGN outperforms existing state-of-the-art baseline models. It is also demonstrated that the learned knowledge from LocaleGN can be transferred across cities. The research outcomes can help to develop light-weighted traffic prediction systems, especially for cities lacking historically archived traffic data.

This paper studies a model for online job scheduling in green datacenters. In green datacenters, resource availability depends on the power supply from the renewables. Intermittent power supply from renewables leads to intermittent resource availability, inducing job delays (and associated costs). Green datacenter operators must intelligently manage their workloads and available power supply to extract maximum benefits. The scheduler's objective is to schedule jobs on a set of resources to maximize the total value (revenue) while minimizing the overall job delay. A trade-off exists between achieving high job value on the one hand and low expected delays on the other. Hence, the aims of achieving high rewards and low costs are in opposition. In addition, datacenter operators often prioritize multiple objectives, including high system utilization and job completion. To accomplish the opposing goals of maximizing total job value and minimizing job delays, we apply the Proportional-Integral-Derivative (PID) Lagrangian methods in Deep Reinforcement Learning to job scheduling problem in the green datacenter environment. Lagrangian methods are widely used algorithms for constrained optimization problems. We adopt a controls perspective to learn the Lagrange multiplier with proportional, integral, and derivative control, achieving favorable learning dynamics. Feedback control defines cost terms for the learning agent, monitors the cost limits during training, and continuously adjusts the learning parameters to achieve stable performance. Our experiments demonstrate improved performance compared to scheduling policies without the PID Lagrangian methods. Experimental results illustrate the effectiveness of the Constraint Controlled Reinforcement Learning (CoCoRL) scheduler that simultaneously satisfies multiple objectives.

Steady-state models which have been learned from historical operational data may be unfit for model-based optimization unless correlations in the training data which are introduced by control are accounted for. Using recent results from work on structural dynamical causal models, we derive a formula for adjusting for this control confounding, enabling the estimation of a causal steady-state model from closed-loop steady-state data. The formula assumes that the available data have been gathered under some fixed control law. It works by estimating and taking into account the disturbance which the controller is trying to counteract, and enables learning from data gathered under both feedforward and feedback control.

Continuous behavioural authentication methods add a unique layer of security by allowing individuals to verify their unique identity when accessing a device. Maintaining session authenticity is now feasible by monitoring users' behaviour while interacting with a mobile or Internet of Things (IoT) device, making credential theft and session hijacking ineffective. Such a technique is made possible by integrating the power of artificial intelligence and Machine Learning (ML). Most of the literature focuses on training machine learning for the user by transmitting their data to an external server, subject to private user data exposure to threats. In this paper, we propose a novel Federated Learning (FL) approach that protects the anonymity of user data and maintains the security of his data. We present a warmup approach that provides a significant accuracy increase. In addition, we leverage the transfer learning technique based on feature extraction to boost the models' performance. Our extensive experiments based on four datasets: MNIST, FEMNIST, CIFAR-10 and UMDAA-02-FD, show a significant increase in user authentication accuracy while maintaining user privacy and data security.

We propose a method for meta-learning reinforcement learning algorithms by searching over the space of computational graphs which compute the loss function for a value-based model-free RL agent to optimize. The learned algorithms are domain-agnostic and can generalize to new environments not seen during training. Our method can both learn from scratch and bootstrap off known existing algorithms, like DQN, enabling interpretable modifications which improve performance. Learning from scratch on simple classical control and gridworld tasks, our method rediscovers the temporal-difference (TD) algorithm. Bootstrapped from DQN, we highlight two learned algorithms which obtain good generalization performance over other classical control tasks, gridworld type tasks, and Atari games. The analysis of the learned algorithm behavior shows resemblance to recently proposed RL algorithms that address overestimation in value-based methods.

It is common practice in deep learning to represent a measurement of the world on a discrete grid, e.g. a 2D grid of pixels. However, the underlying signal represented by these measurements is often continuous, e.g. the scene depicted in an image. A powerful continuous alternative is then to represent these measurements using an implicit neural representation, a neural function trained to output the appropriate measurement value for any input spatial location. In this paper, we take this idea to its next level: what would it take to perform deep learning on these functions instead, treating them as data? In this context we refer to the data as functa, and propose a framework for deep learning on functa. This view presents a number of challenges around efficient conversion from data to functa, compact representation of functa, and effectively solving downstream tasks on functa. We outline a recipe to overcome these challenges and apply it to a wide range of data modalities including images, 3D shapes, neural radiance fields (NeRF) and data on manifolds. We demonstrate that this approach has various compelling properties across data modalities, in particular on the canonical tasks of generative modeling, data imputation, novel view synthesis and classification. Code: https://github.com/deepmind/functa

Graph neural networks (GNNs) are susceptible to privacy inference attacks (PIAs), given their ability to learn joint representation from features and edges among nodes in graph data. To prevent privacy leakages in GNNs, we propose a novel heterogeneous randomized response (HeteroRR) mechanism to protect nodes' features and edges against PIAs under differential privacy (DP) guarantees without an undue cost of data and model utility in training GNNs. Our idea is to balance the importance and sensitivity of nodes' features and edges in redistributing the privacy budgets since some features and edges are more sensitive or important to the model utility than others. As a result, we derive significantly better randomization probabilities and tighter error bounds at both levels of nodes' features and edges departing from existing approaches, thus enabling us to maintain high data utility for training GNNs. An extensive theoretical and empirical analysis using benchmark datasets shows that HeteroRR significantly outperforms various baselines in terms of model utility under rigorous privacy protection for both nodes' features and edges. That enables us to defend PIAs in DP-preserving GNNs effectively.

Over the past few years, the field of adversarial attack received numerous attention from various researchers with the help of successful attack success rate against well-known deep neural networks that were acknowledged to achieve high classification ability in various tasks. However, majority of the experiments were completed under a single model, which we believe it may not be an ideal case in a real-life situation. In this paper, we introduce a novel federated adversarial training method for smart home face recognition, named FLATS, where we observed some interesting findings that may not be easily noticed in a traditional adversarial attack to federated learning experiments. By applying different variations to the hyperparameters, we have spotted that our method can make the global model to be robust given a starving federated environment. Our code can be found on https://github.com/jcroh0508/FLATS.

Various brain functions that are necessary to maintain life activities materialize through the interaction of countless neurons. Therefore, it is important to analyze the structure of functional neuronal network. To elucidate the mechanism of brain function, many studies are being actively conducted on the structure of functional neuronal ensemble and hub, including all areas of neuroscience. In addition, recent study suggests that the existence of functional neuronal ensembles and hubs contributes to the efficiency of information processing. For these reasons, there is a demand for methods to infer functional neuronal ensembles from neuronal activity data, and methods based on Bayesian inference have been proposed. However, there is a problem in modeling the activity in Bayesian inference. The features of each neuron's activity have non-stationarity depending on physiological experimental conditions. As a result, the assumption of stationarity in Bayesian inference model impedes inference, which leads to destabilization of inference results and degradation of inference accuracy. In this study, we extend the expressivity of the model in the previous study and improve it to a soft clustering method, which can be applied to activity data with non-stationarity. In addition, for the effectiveness of the method, we apply the developed method to synthetic data generated by the leaky-integrate-and-fire model, and discuss the result.

We consider the decentralized exploration problem: a set of players collaborate to identify the best arm by asynchronously interacting with the same stochastic environment. The objective is to insure privacy in the best arm identification problem between asynchronous, collaborative, and thrifty players. In the context of a digital service, we advocate that this decentralized approach allows a good balance between the interests of users and those of service providers: the providers optimize their services, while protecting the privacy of the users and saving resources. We define the privacy level as the amount of information an adversary could infer by intercepting the messages concerning a single user. We provide a generic algorithm Decentralized Elimination, which uses any best arm identification algorithm as a subroutine. We prove that this algorithm insures privacy, with a low communication cost, and that in comparison to the lower bound of the best arm identification problem, its sample complexity suffers from a penalty depending on the inverse of the probability of the most frequent players. Then, thanks to the genericity of the approach, we extend the proposed algorithm to the non-stationary bandits. Finally, experiments illustrate and complete the analysis.

In this paper, we address the stochastic contextual linear bandit problem, where a decision maker is provided a context (a random set of actions drawn from a distribution). The expected reward of each action is specified by the inner product of the action and an unknown parameter. The goal is to design an algorithm that learns to play as close as possible to the unknown optimal policy after a number of action plays. This problem is considered more challenging than the linear bandit problem, which can be viewed as a contextual bandit problem with a \emph{fixed} context. Surprisingly, in this paper, we show that the stochastic contextual problem can be solved as if it is a linear bandit problem. In particular, we establish a novel reduction framework that converts every stochastic contextual linear bandit instance to a linear bandit instance, when the context distribution is known. When the context distribution is unknown, we establish an algorithm that reduces the stochastic contextual instance to a sequence of linear bandit instances with small misspecifications and achieves nearly the same worst-case regret bound as the algorithm that solves the misspecified linear bandit instances. As a consequence, our results imply a $O(d\sqrt{T\log T})$ high-probability regret bound for contextual linear bandits, making progress in resolving an open problem in (Li et al., 2019), (Li et al., 2021). Our reduction framework opens up a new way to approach stochastic contextual linear bandit problems, and enables improved regret bounds in a number of instances including the batch setting, contextual bandits with misspecifications, contextual bandits with sparse unknown parameters, and contextual bandits with adversarial corruption.

In this paper, we investigate the impact of diverse user preference on learning under the stochastic multi-armed bandit (MAB) framework. We aim to show that when the user preferences are sufficiently diverse and each arm can be optimal for certain users, the O(log T) regret incurred by exploring the sub-optimal arms under the standard stochastic MAB setting can be reduced to a constant. Our intuition is that to achieve sub-linear regret, the number of times an optimal arm being pulled should scale linearly in time; when all arms are optimal for certain users and pulled frequently, the estimated arm statistics can quickly converge to their true values, thus reducing the need of exploration dramatically. We cast the problem into a stochastic linear bandits model, where both the users preferences and the state of arms are modeled as {independent and identical distributed (i.i.d)} d-dimensional random vectors. After receiving the user preference vector at the beginning of each time slot, the learner pulls an arm and receives a reward as the linear product of the preference vector and the arm state vector. We also assume that the state of the pulled arm is revealed to the learner once its pulled. We propose a Weighted Upper Confidence Bound (W-UCB) algorithm and show that it can achieve a constant regret when the user preferences are sufficiently diverse. The performance of W-UCB under general setups is also completely characterized and validated with synthetic data.

Multilayer Perceptrons struggle to learn certain simple arithmetic tasks. Specialist neural modules for arithmetic can outperform classical architectures with gains in extrapolation, interpretability and convergence speeds, but are highly sensitive to the training range. In this paper, we show that Neural Multiplication Units (NMUs) are unable to reliably learn tasks as simple as multiplying two inputs when given different training ranges. Causes of failure are linked to inductive and input biases which encourage convergence to solutions in undesirable optima. A solution, the stochastic NMU (sNMU), is proposed to apply reversible stochasticity, encouraging avoidance of such optima whilst converging to the true solution. Empirically, we show that stochasticity provides improved robustness with the potential to improve learned representations of upstream networks for numerical and image tasks.

Pre-trained protein language models have demonstrated significant applicability in different protein engineering task. A general usage of these pre-trained transformer models latent representation is to use a mean pool across residue positions to reduce the feature dimensions to further downstream tasks such as predicting bio-physics properties or other functional behaviours. In this paper we provide a two-fold contribution to machine learning (ML) driven drug design. Firstly, we demonstrate the power of sparsity by promoting penalization of pre-trained transformer models to secure more robust and accurate melting temperature (Tm) prediction of single-chain variable fragments with a mean absolute error of 0.23C. Secondly, we demonstrate the power of framing our prediction problem in a probabilistic framework. Specifically, we advocate for the need of adopting probabilistic frameworks especially in the context of ML driven drug design.

Measuring and monitoring soil organic carbon is critical for agricultural productivity and for addressing critical environmental problems. Soil organic carbon not only enriches nutrition in soil, but also has a gamut of co-benefits such as improving water storage and limiting physical erosion. Despite a litany of work in soil organic carbon estimation, current approaches do not generalize well across soil conditions and management practices. We empirically show that explicit modeling of cause-and-effect relationships among the soil processes improves the out-of-distribution generalizability of prediction models. We provide a comparative analysis of soil organic carbon estimation models where the skeleton is estimated using causal discovery methods. Our framework provide an average improvement of 81% in test mean squared error and 52% in test mean absolute error.

Spatiotemporal data is readily available due to emerging sensor and data acquisition technologies that track the positions of moving objects of interest. Spatiotemporal clustering addresses the need to efficiently discover patterns and trends in moving object behavior without human supervision. One application of interest is the discovery of moving clusters, where clusters have a static identity, but their location and content can change over time. We propose a two phase spatiotemporal clustering method called spatiotemporal k-means (STKM) that is able to analyze the multi-scale relationships within spatiotemporal data. Phase 1 of STKM frames the moving cluster problem as the minimization of an objective function unified over space and time. It outputs the short-term associations between objects and is uniquely able to track dynamic cluster centers with minimal parameter tuning and without post-processing. Phase 2 outputs the long-term associations and can be applied to any method that provides a cluster label for each object at every point in time. We evaluate STKM against baseline methods on a recently developed benchmark dataset and show that STKM outperforms existing methods, particularly in the low-data domain, with significant performance improvements demonstrated for common evaluation metrics on the moving cluster problem.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

Time series anomaly detection has applications in a wide range of research fields and applications, including manufacturing and healthcare. The presence of anomalies can indicate novel or unexpected events, such as production faults, system defects, or heart fluttering, and is therefore of particular interest. The large size and complex patterns of time series have led researchers to develop specialised deep learning models for detecting anomalous patterns. This survey focuses on providing structured and comprehensive state-of-the-art time series anomaly detection models through the use of deep learning. It providing a taxonomy based on the factors that divide anomaly detection models into different categories. Aside from describing the basic anomaly detection technique for each category, the advantages and limitations are also discussed. Furthermore, this study includes examples of deep anomaly detection in time series across various application domains in recent years. It finally summarises open issues in research and challenges faced while adopting deep anomaly detection models.

Federated Learning (FL) is extensively used to train AI/ML models in distributed and privacy-preserving settings. Participant edge devices in FL systems typically contain non-independent and identically distributed~(Non-IID) private data and unevenly distributed computational resources. Preserving user data privacy while optimizing AI/ML models in a heterogeneous federated network requires us to address data heterogeneity and system/resource heterogeneity. Hence, we propose \underline{R}esource-\underline{a}ware \underline{F}ederated \underline{L}earning~(RaFL) to address these challenges. RaFL allocates resource-aware models to edge devices using Neural Architecture Search~(NAS) and allows heterogeneous model architecture deployment by knowledge extraction and fusion. Integrating NAS into FL enables on-demand customized model deployment for resource-diverse edge devices. Furthermore, we propose a multi-model architecture fusion scheme allowing the aggregation of the distributed learning results. Results demonstrate RaFL's superior resource efficiency compared to SoTA.

We present 2-dimensional turbulent electric field calculations via physics-informed deep learning consistent with (i) drift-reduced Braginskii theory under the framework of an axisymmetric fusion plasma with purely toroidal field and (ii) experimental estimates of the fluctuating electron density and temperature on open field lines obtained from analysis of gas puff imaging of a discharge on the Alcator C-Mod tokamak. The inclusion of effects from the locally puffed atomic helium on particle and energy sources within the reduced plasma turbulence model are found to strengthen correlations between the electric field and electron pressure. The neutrals are also directly associated with broadening the distribution of turbulent field amplitudes and increasing ${\bf E \times B}$ shearing rates. This demonstrates a novel approach in plasma experiments by solving for nonlinear dynamics consistent with partial differential equations and data without encoding explicit boundary nor initial conditions.

Outcome prediction is crucial for head and neck cancer patients as it can provide prognostic information for early treatment planning. Radiomics methods have been widely used for outcome prediction from medical images. However, these methods are limited by their reliance on intractable manual segmentation of tumor regions. Recently, deep learning methods have been proposed to perform end-to-end outcome prediction so as to remove the reliance on manual segmentation. Unfortunately, without segmentation masks, these methods will take the whole image as input, such that makes them difficult to focus on tumor regions and potentially unable to fully leverage the prognostic information within the tumor regions. In this study, we propose a radiomics-enhanced deep multi-task framework for outcome prediction from PET/CT images, in the context of HEad and neCK TumOR segmentation and outcome prediction challenge (HECKTOR 2022). In our framework, our novelty is to incorporate radiomics as an enhancement to our recently proposed Deep Multi-task Survival model (DeepMTS). The DeepMTS jointly learns to predict the survival risk scores of patients and the segmentation masks of tumor regions. Radiomics features are extracted from the predicted tumor regions and combined with the predicted survival risk scores for final outcome prediction, through which the prognostic information in tumor regions can be further leveraged. Our method achieved a C-index of 0.681 on the testing set, placing the 2nd on the leaderboard with only 0.00068 lower in C-index than the 1st place.

Out-of-Domain (OOD) intent detection is important for practical dialog systems. To alleviate the issue of lacking OOD training samples, some works propose synthesizing pseudo OOD samples and directly assigning one-hot OOD labels to these pseudo samples. However, these one-hot labels introduce noises to the training process because some hard pseudo OOD samples may coincide with In-Domain (IND) intents. In this paper, we propose an adaptive soft pseudo labeling (ASoul) method that can estimate soft labels for pseudo OOD samples when training OOD detectors. Semantic connections between pseudo OOD samples and IND intents are captured using an embedding graph. A co-training framework is further introduced to produce resulting soft labels following the smoothness assumption, i.e., close samples are likely to have similar labels. Extensive experiments on three benchmark datasets show that ASoul consistently improves the OOD detection performance and outperforms various competitive baselines.

The invention of transformer-based models such as BERT, GPT, and RoBERTa has enabled researchers and financial companies to finetune these powerful models and use them in different downstream tasks to achieve state-of-the-art performance. Recently, a lightweight alternative (approximately 0.1% - 3% of the original model parameters) to fine-tuning, known as prefix tuning has been introduced. This method freezes the model parameters and only updates the prefix to achieve performance comparable to full fine-tuning. Prefix tuning enables researchers and financial practitioners to achieve similar results with much fewer parameters. In this paper, we explore the robustness of prefix tuning when facing noisy data. Our experiments demonstrate that fine-tuning is more robust to noise than prefix tuning -- the latter method faces a significant decrease in performance on most corrupted data sets with increasing noise levels. Furthermore, prefix tuning has high variances in the F1 scores compared to fine-tuning in many corruption methods. We strongly advocate that caution should be carefully taken when applying the state-of-the-art prefix tuning method to noisy data.

Dimensionality reduction techniques map data represented on higher dimensions onto lower dimensions with varying degrees of information loss. Graph dimensionality reduction techniques adopt the same principle of providing latent representations of the graph structure with minor adaptations to the output representations along with the input data. There exist several cutting edge techniques that are efficient at generating embeddings from graph data and projecting them onto low dimensional latent spaces. Due to variations in the operational philosophy, the benefits of a particular graph dimensionality reduction technique might not prove advantageous to every scenario or rather every dataset. As a result, some techniques are efficient at representing the relationship between nodes at lower dimensions, while others are good at encapsulating the entire graph structure on low dimensional space. We present this survey to outline the benefits as well as problems associated with the existing graph dimensionality reduction techniques. We also attempted to connect the dots regarding the potential improvements to some of the techniques. This survey could be helpful for upcoming researchers interested in exploring the usage of graph representation learning to effectively produce low-dimensional graph embeddings with varying degrees of granularity.

Using 3D CNNs on high resolution medical volumes is very computationally demanding, especially for large datasets like the UK Biobank which aims to scan 100,000 subjects. Here we demonstrate that using 2D CNNs on a few 2D projections (representing mean and standard deviation across axial, sagittal and coronal slices) of the 3D volumes leads to reasonable test accuracy when predicting the age from brain volumes. Using our approach, one training epoch with 20,324 subjects takes 40 - 70 seconds using a single GPU, which is almost 100 times faster compared to a small 3D CNN. These results are important for researchers who do not have access to expensive GPU hardware for 3D CNNs.

Analytics of financial data is inherently a Big Data paradigm, as such data are collected over many assets, asset classes, countries, and time periods. This represents a challenge for modern machine learning models, as the number of model parameters needed to process such data grows exponentially with the data dimensions; an effect known as the Curse-of-Dimensionality. Recently, Tensor Decomposition (TD) techniques have shown promising results in reducing the computational costs associated with large-dimensional financial models while achieving comparable performance. However, tensor models are often unable to incorporate the underlying economic domain knowledge. To this end, we develop a novel Graph-Regularized Tensor Regression (GRTR) framework, whereby knowledge about cross-asset relations is incorporated into the model in the form of a graph Laplacian matrix. This is then used as a regularization tool to promote an economically meaningful structure within the model parameters. By virtue of tensor algebra, the proposed framework is shown to be fully interpretable, both coefficient-wise and dimension-wise. The GRTR model is validated in a multi-way financial forecasting setting and compared against competing models, and is shown to achieve improved performance at reduced computational costs. Detailed visualizations are provided to help the reader gain an intuitive understanding of the employed tensor operations.

Recent studies have demonstrated that deep neural networks (DNNs) are vulnerable to backdoor attacks during the training process. Specifically, the adversaries intend to embed hidden backdoors in DNNs so that malicious model predictions can be activated through pre-defined trigger patterns. In this paper, we explore the backdoor mechanism from the angle of the model structure. We select the skip connection for discussions, inspired by the understanding that it helps the learning of model `shortcuts' where backdoor triggers are usually easier to be learned. Specifically, we demonstrate that the attack success rate (ASR) decreases significantly when reducing the outputs of some key skip connections. Based on this observation, we design a simple yet effective backdoor removal method by suppressing the skip connections in critical layers selected by our method. We also implement fine-tuning on these layers to recover high benign accuracy and to further reduce ASR. Extensive experiments on benchmark datasets verify the effectiveness of our method.

Metric-based meta-learning is one of the de facto standards in few-shot learning. It composes of representation learning and metrics calculation designs. Previous works construct class representations in different ways, varying from mean output embedding to covariance and distributions. However, using embeddings in space lacks expressivity and cannot capture class information robustly, while statistical complex modeling poses difficulty to metric designs. In this work, we use tensor fields (``areas'') to model classes from the geometrical perspective for few-shot learning. We present a simple and effective method, dubbed hypersphere prototypes (HyperProto), where class information is represented by hyperspheres with dynamic sizes with two sets of learnable parameters: the hypersphere's center and the radius. Extending from points to areas, hyperspheres are much more expressive than embeddings. Moreover, it is more convenient to perform metric-based classification with hypersphere prototypes than statistical modeling, as we only need to calculate the distance from a data point to the surface of the hypersphere. Following this idea, we also develop two variants of prototypes under other measurements. Extensive experiments and analysis on few-shot learning tasks across NLP and CV and comparison with 20+ competitive baselines demonstrate the effectiveness of our approach.

A paper of Alsinglawi et al was recently accepted and published in Scientific Reports. In this paper, the authors aim to predict length of stay (LOS), discretized into either long (> 7 days) or short stays (< 7 days), of lung cancer patients in an ICU department using various machine learning techniques. The authors claim to achieve perfect results with an Area Under the Receiver Operating Characteristic curve (AUROC) of 100% with a Random Forest (RF) classifier with ADASYN class balancing over sampling technique, which if accurate could have significant implications for hospital management. However, we have identified several methodological flaws within the manuscript which cause the results to be overly optimistic and would have serious consequences if used in a clinical practice. Moreover, the reporting of the methodology is unclear and many important details are missing from the manuscript, which makes reproduction extremely difficult. We highlight the effect these oversights have had on the result and provide a more believable result of 88.91% AUROC when these oversights are corrected.

In recent proposals of quantum circuit models for generative tasks, the discussion about their performance has been limited to their ability to reproduce a known target distribution. For example, expressive model families such as Quantum Circuit Born Machines (QCBMs) have been almost entirely evaluated on their capability to learn a given target distribution with high accuracy. While this aspect may be ideal for some tasks, it limits the scope of a generative model's assessment to its ability to memorize data rather than generalize. As a result, there has been little understanding of a model's generalization performance and the relation between such capability and the resource requirements, e.g., the circuit depth and the amount of training data. In this work, we leverage upon a recently proposed generalization evaluation framework to begin addressing this knowledge gap. We first investigate the QCBM's learning process of a cardinality-constrained distribution and see an increase in generalization performance while increasing the circuit depth. In the 12-qubit example presented here, we observe that with as few as 30% of the valid patterns as the training set, the QCBM exhibits the best generalization performance toward generating unseen and valid patterns. Lastly, we assess the QCBM's ability to generalize not only to valid features, but to high-quality bitstrings distributed according to an adequately biased distribution. We see that the QCBM is able to effectively learn the bias and generate unseen samples with higher quality than those in the training set. To the best of our knowledge, this is the first work in the literature that presents the QCBM's generalization performance as an integral evaluation metric for quantum generative models, and demonstrates the QCBM's ability to generalize to high-quality, desired novel samples.  ( 3 min )

Learning high-dimensional distributions is often done with explicit likelihood modeling or implicit modeling via minimizing integral probability metrics (IPMs). In this paper, we expand this learning paradigm to stochastic orders, namely, the convex or Choquet order between probability measures. Towards this end, exploiting the relation between convex orders and optimal transport, we introduce the Choquet-Toland distance between probability measures, that can be used as a drop-in replacement for IPMs. We also introduce the Variational Dominance Criterion (VDC) to learn probability measures with dominance constraints, that encode the desired stochastic order between the learned measure and a known baseline. We analyze both quantities and show that they suffer from the curse of dimensionality and propose surrogates via input convex maxout networks (ICMNs), that enjoy parametric rates. We provide a min-max framework for learning with stochastic orders and validate it experimentally on synthetic and high-dimensional image generation, with promising results. Finally, our ICMNs class of convex functions and its derived Rademacher Complexity are of independent interest beyond their application in convex orders.

Dynamic networks have been extensively explored as they can considerably improve the model's representation power with acceptable computational cost. The common practice in implementing dynamic networks is to convert given static layers into fully dynamic ones where all parameters are dynamic and vary with the input. Recent studies empirically show the trend that the more dynamic layers contribute to ever-increasing performance. However, such a fully dynamic setting 1) may cause redundant parameters and high deployment costs, limiting the applicability of dynamic networks to a broader range of tasks and models, and more importantly, 2) contradicts the previous discovery in the human brain that \textit{when human brains process an attention-demanding task, only partial neurons in the task-specific areas are activated by the input, while the rest neurons leave in a baseline state.} Critically, there is no effort to understand and resolve the above contradictory finding, leaving the primal question -- to make the computational parameters fully dynamic or not? -- unanswered. The main contributions of our work are challenging the basic commonsense in dynamic networks, and, proposing and validating the \textsc{cherry hypothesis} -- \textit{A fully dynamic network contains a subset of dynamic parameters that when transforming other dynamic parameters into static ones, can maintain or even exceed the performance of the original network.} Technically, we propose a brain-inspired partially dynamic network, namely PAD-Net, to transform the redundant dynamic parameters into static ones. Also, we further design Iterative Mode Partition to partition the dynamic- and static-subnet, which alleviates the redundancy in traditional fully dynamic networks. Our hypothesis and method are comprehensively supported by large-scale experiments with typical advanced dynamic methods.

Faced with the threat of identity leakage during voice data publishing, users are engaged in a privacy-utility dilemma when enjoying convenient voice services. Existing studies employ direct modification or text-based re-synthesis to de-identify users' voices, but resulting in inconsistent audibility in the presence of human participants. In this paper, we propose a voice de-identification system, which uses adversarial examples to balance the privacy and utility of voice services. Instead of typical additive examples inducing perceivable distortions, we design a novel convolutional adversarial example that modulates perturbations into real-world room impulse responses. Benefit from this, our system could preserve user identity from exposure by Automatic Speaker Identification (ASI) while remaining the voice perceptual quality for non-intrusive de-identification. Moreover, our system learns a compact speaker distribution through a conditional variational auto-encoder to sample diverse target embeddings on demand. Combining diverse target generation and input-specific perturbation construction, our system enables any-to-any identify transformation for adaptive de-identification. Experimental results show that our system could achieve 98% and 79% successful de-identification on mainstream ASIs and commercial systems with an objective Mel cepstral distortion of 4.31dB and a subjective mean opinion score of 4.48.

Graph representation of objects and their relations in a scene, known as a scene graph, provides a precise and discernible interface to manipulate a scene by modifying the nodes or the edges in the graph. Although existing works have shown promising results in modifying the placement and pose of objects, scene manipulation often leads to losing some visual characteristics like the appearance or identity of objects. In this work, we propose DisPositioNet, a model that learns a disentangled representation for each object for the task of image manipulation using scene graphs in a self-supervised manner. Our framework enables the disentanglement of the variational latent embeddings as well as the feature representation in the graph. In addition to producing more realistic images due to the decomposition of features like pose and identity, our method takes advantage of the probabilistic sampling in the intermediate features to generate more diverse images in object replacement or addition tasks. The results of our experiments show that disentangling the feature representations in the latent manifold of the model outperforms the previous works qualitatively and quantitatively on two public benchmarks. Project Page: https://scenegenie.github.io/DispositioNet/

In this study, we explore the representation mapping from the domain of visual arts to the domain of music, with which we can use visual arts as an effective handle to control music generation. Unlike most studies in multimodal representation learning that are purely data-driven, we adopt an analysis-by-synthesis approach that combines deep music representation learning with user studies. Such an approach enables us to discover \textit{interpretable} representation mapping without a huge amount of paired data. In particular, we discover that visual-to-music mapping has a nice property similar to equivariant. In other words, we can use various image transformations, say, changing brightness, changing contrast, style transfer, to control the corresponding transformations in the music domain. In addition, we released the Vis2Mus system as a controllable interface for symbolic music generation.

Non-IID data distribution across clients and poisoning attacks are two main challenges in real-world federated learning systems. While both of them have attracted great research interest with specific strategies developed, no known solution manages to address them in a unified framework. To jointly overcome both challenges, we propose SmartFL, a generic approach that optimizes the server-side aggregation process with a small clean server-collected proxy dataset (e.g., around one hundred samples, 0.2% of the dataset) via a subspace training technique. Specifically, the aggregation weight of each participating client at each round is optimized using the server-collected proxy data, which is essentially the optimization of the global model in the convex hull spanned by client models. Since at each round, the number of tunable parameters optimized on the server side equals the number of participating clients (thus independent of the model size), we are able to train a global model with massive parameters using only a small amount of proxy data. We provide theoretical analyses of the convergence and generalization capacity for SmartFL. Empirically, SmartFL achieves state-of-the-art performance on both federated learning with non-IID data distribution and federated learning with malicious clients. The source code will be released.

One of the main problems in applying deep learning techniques to recognize activities of daily living (ADLs) based on inertial sensors is the lack of appropriately large labelled datasets to train deep learning-based models. A large amount of data would be available due to the wide spread of mobile devices equipped with inertial sensors that can collect data to recognize human activities. Unfortunately, this data is not labelled. The paper proposes DISC (Deep Inertial Sensory Clustering), a DL-based clustering architecture that automatically labels multi-dimensional inertial signals. In particular, the architecture combines a recurrent AutoEncoder and a clustering criterion to predict unlabelled human activities-related signals. The proposed architecture is evaluated on three publicly available HAR datasets and compared with four well-known end-to-end deep clustering approaches. The experiments demonstrate the effectiveness of DISC on both clustering accuracy and normalized mutual information metrics.

We consider the problem of decision-making under uncertainty in an environment with safety constraints. Many business and industrial applications rely on real-time optimization with changing inputs to improve key performance indicators. In the case of unknown environmental characteristics, real-time optimization becomes challenging, particularly for the satisfaction of safety constraints. We propose the ARTEO algorithm, where we cast multi-armed bandits as a mathematical programming problem subject to safety constraints and learn the environmental characteristics through changes in optimization inputs and through exploration. We quantify the uncertainty in unknown characteristics by using Gaussian processes and incorporate it into the utility function as a contribution which drives exploration. We adaptively control the size of this contribution using a heuristic in accordance with the requirements of the environment. We guarantee the safety of our algorithm with a high probability through confidence bounds constructed under the regularity assumptions of Gaussian processes. Compared to existing safe-learning approaches, our algorithm does not require an exclusive exploration phase and follows the optimization goals even in the explored points, which makes it suitable for safety-critical systems. We demonstrate the safety and efficiency of our approach with two experiments: an industrial process and an online bid optimization benchmark problem.

Self-trained autonomous agents developed using machine learning are showing great promise in a variety of control settings, perhaps most remarkably in applications involving autonomous vehicles. The main challenge associated with self-learned agents in the form of deep neural networks, is their black-box nature: it is impossible for humans to interpret deep neural networks. Therefore, humans cannot directly interpret the actions of deep neural network based agents, or foresee their robustness in different scenarios. In this work, we demonstrate a method for probing which concepts self-learning agents internalise in the course of their training. For demonstration, we use a chess playing agent in a fast and light environment developed specifically to be suitable for research groups without access to enormous computational resources or machine learning models.

Pre-trained Language Model (PLM) has become a representative foundation model in the natural language processing field. Most PLMs are trained with linguistic-agnostic pre-training tasks on the surface form of the text, such as the masked language model (MLM). To further empower the PLMs with richer linguistic features, in this paper, we aim to propose a simple but effective way to learn linguistic features for pre-trained language models. We propose LERT, a pre-trained language model that is trained on three types of linguistic features along with the original MLM pre-training task, using a linguistically-informed pre-training (LIP) strategy. We carried out extensive experiments on ten Chinese NLU tasks, and the experimental results show that LERT could bring significant improvements over various comparable baselines. Furthermore, we also conduct analytical experiments in various linguistic aspects, and the results prove that the design of LERT is valid and effective. Resources are available at https://github.com/ymcui/LERT

As predictive models are increasingly being employed to make consequential decisions, there is a growing emphasis on developing techniques that can provide algorithmic recourse to affected individuals. While such recourses can be immensely beneficial to affected individuals, potential adversaries could also exploit these recourses to compromise privacy. In this work, we make the first attempt at investigating if and how an adversary can leverage recourses to infer private information about the underlying model's training data. To this end, we propose a series of novel membership inference attacks which leverage algorithmic recourse. More specifically, we extend the prior literature on membership inference attacks to the recourse setting by leveraging the distances between data instances and their corresponding counterfactuals output by state-of-the-art recourse methods. Extensive experimentation with real world and synthetic datasets demonstrates significant privacy leakage through recourses. Our work establishes unintended privacy leakage as an important risk in the widespread adoption of recourse methods.

We consider optimizing a function network in the noise-free grey-box setting with RKHS function classes, where the exact intermediate results are observable. We assume that the structure of the network is known (but not the underlying functions comprising it), and we study three types of structures: (1) chain: a cascade of scalar-valued functions, (2) multi-output chain: a cascade of vector-valued functions, and (3) feed-forward network: a fully connected feed-forward network of scalar-valued functions. We propose a sequential upper confidence bound based algorithm GPN-UCB along with a general theoretical upper bound on the cumulative regret. For the Mat\'ern kernel, we additionally propose a non-adaptive sampling based method along with its theoretical upper bound on the simple regret. We also provide algorithm-independent lower bounds on the simple regret and cumulative regret, showing that GPN-UCB is near-optimal for chains and multi-output chains in broad cases of interest.

Spiking neural networks (SNNs) are receiving increasing attention due to their low power consumption and strong bio-plausibility. Optimization of SNNs is a challenging task. Two main methods, artificial neural network (ANN)-to-SNN conversion and spike-based backpropagation (BP), both have their advantages and limitations. For ANN-to-SNN conversion, it requires a long inference time to approximate the accuracy of ANN, thus diminishing the benefits of SNN. With spike-based BP, training high-precision SNNs typically consumes dozens of times more computational resources and time than their ANN counterparts. In this paper, we propose a novel SNN training approach that combines the benefits of the two methods. We first train a single-step SNN by approximating the neural potential distribution with random noise, then convert the single-step SNN to a multi-step SNN losslessly. The introduction of Gaussian distributed noise leads to a significant gain in accuracy after conversion. The results show that our method considerably reduces the training and inference times of SNNs while maintaining their high accuracy. Compared to the previous two methods, ours can reduce training time by 65%-75% and achieves more than 100 times faster inference speed. We also argue that the neuron model augmented with noise makes it more bio-plausible.

Learning classifiers using skewed or imbalanced datasets can occasionally lead to classification issues; this is a serious issue. In some cases, one class contains the majority of examples while the other, which is frequently the more important class, is nevertheless represented by a smaller proportion of examples. Using this kind of data could make many carefully designed machine-learning systems ineffective. High training fidelity was a term used to describe biases vs. all other instances of the class. The best approach to all possible remedies to this issue is typically to gain from the minority class. The article examines the most widely used methods for addressing the problem of learning with a class imbalance, including data-level, algorithm-level, hybrid, cost-sensitive learning, and deep learning, etc. including their advantages and limitations. The efficiency and performance of the classifier are assessed using a myriad of evaluation metrics.

IMPORTANCE: An interpretable machine learning model can provide faithful explanations of each prediction and yet maintain higher performance than its black box counterpart. OBJECTIVE: To design an interpretable machine learning model which accurately predicts EEG protopatterns while providing an explanation of its predictions with assistance of a specialized GUI. To map the cEEG latent features to a 2D space in order to visualize the ictal-interictal-injury continuum and gain insight into its high-dimensional structure. DESIGN, SETTING, AND PARTICIPANTS: 50,697 50-second cEEG samples from 2,711 ICU patients collected between July 2006 and March 2020 at Massachusetts General Hospital. Samples were labeled as one of 6 EEG activities by domain experts, with 124 different experts providing annotations. MAIN OUTCOMES AND MEASURES: Our neural network is interpretable because it uses case-based reasoning: it compares a new EEG reading to a set of learned prototypical EEG samples from the training dataset. Interpretability was measured with task-specific neighborhood agreement statistics. Discriminatory performance was evaluated with AUROC and AUPRC. RESULTS: The model achieves AUROCs of 0.87, 0.93, 0.96, 0.92, 0.93, 0.80 for classes Seizure, LPD, GPD, LRDA, GRDA, Other respectively. This performance is statistically significantly higher than that of the corresponding uninterpretable (black box) model with p<0.0001. Videos of the ictal-interictal-injury continuum are provided. CONCLUSION AND RELEVANCE: Our interpretable model and GUI can act as a reference for practitioners who work with cEEG patterns. We can now better understand the relationships between different types of cEEG patterns. In the future, this system may allow for targeted intervention and training in clinical settings. It could also be used for re-confirming or providing additional information for diagnostics.

Obstacle detection is a fundamental capability of an autonomous maritime surface vessel (AMSV). State-of-the-art obstacle detection algorithms are based on convolutional neural networks (CNNs). While CNNs provide higher detection accuracy and fast detection speed, they require enormous amounts of data for their training. In particular, the availability of domain-specific datasets is a challenge for obstacle detection. The difficulty in conducting onsite experiments limits the collection of maritime datasets. Owing to the logistic cost of conducting on-site operations, simulation tools provide a safe and cost-efficient alternative for data collection. In this work, we introduce SimuShips, a publicly available simulation-based dataset for maritime environments. Our dataset consists of 9471 high-resolution (1920x1080) images which include a wide range of obstacle types, atmospheric and illumination conditions along with occlusion, scale and visible proportion variations. We provide annotations in the form of bounding boxes. In addition, we conduct experiments with YOLOv5 to test the viability of simulation data. Our experiments indicate that the combination of real and simulated images improves the recall for all classes by 2.9%.

Recent work has shown that machine learning (ML) models can be trained to accurately forecast the dynamics of unknown chaotic dynamical systems. Such ML models can be used to produce both short-term predictions of the state evolution and long-term predictions of the statistical patterns of the dynamics (``climate''). Both of these tasks can be accomplished by employing a feedback loop, whereby the model is trained to predict forward one time step, then the trained model is iterated for multiple time steps with its output used as the input. In the absence of mitigating techniques, however, this technique can result in artificially rapid error growth, leading to inaccurate predictions and/or climate instability. In this article, we systematically examine the technique of adding noise to the ML model input during training as a means to promote stability and improve prediction accuracy. Furthermore, we introduce Linearized Multi-Noise Training (LMNT), a regularization technique that deterministically approximates the effect of many small, independent noise realizations added to the model input during training. Our case study uses reservoir computing, a machine-learning method using recurrent neural networks, to predict the spatiotemporal chaotic Kuramoto-Sivashinsky equation. We find that reservoir computers trained with noise or with LMNT produce climate predictions that appear to be indefinitely stable and have a climate very similar to the true system, while reservoir computers trained without regularization are unstable. Compared with other types of regularization that yield stability in some cases, we find that both short-term and climate predictions from reservoir computers trained with noise or with LMNT are substantially more accurate. Finally, we show that the deterministic aspect of our LMNT regularization facilitates fast hyperparameter tuning when compared to training with noise.

Sentiment analysis is the computational study of opinions and emotions ex-pressed in text. Deep learning is a model that is currently producing state-of-the-art in various application domains, including sentiment analysis. Many researchers are using a hybrid approach that combines different deep learning models and has been shown to improve model performance. In sentiment analysis, input in text data is first converted into a numerical representation. The standard method used to obtain a text representation is the fine-tuned embedding method. However, this method does not pay attention to each word's context in the sentence. Therefore, the Bidirectional Encoder Representation from Transformer (BERT) model is used to obtain text representations based on the context and position of words in sentences. This research extends the previous hybrid deep learning using BERT representation for Indonesian sentiment analysis. Our simulation shows that the BERT representation improves the accuracies of all hybrid architectures. The BERT-based LSTM-CNN also reaches slightly better accuracies than other BERT-based hybrid architectures.

Domain generalization (DG) aims to learn a generalizable model from multiple training domains such that it can perform well on unseen target domains. A popular strategy is to augment training data to benefit generalization through methods such as Mixup~\cite{zhang2018mixup}. While the vanilla Mixup can be directly applied, theoretical and empirical investigations uncover several shortcomings that limit its performance. Firstly, Mixup cannot effectively identify the domain and class information that can be used for learning invariant representations. Secondly, Mixup may introduce synthetic noisy data points via random interpolation, which lowers its discrimination capability. Based on the analysis, we propose a simple yet effective enhancement for Mixup-based DG, namely domain-invariant Feature mIXup (FIX). It learns domain-invariant representations for Mixup. To further enhance discrimination, we leverage existing techniques to enlarge margins among classes to further propose the domain-invariant Feature MIXup with Enhanced Discrimination (FIXED) approach. We present theoretical insights about guarantees on its effectiveness. Extensive experiments on seven public datasets across two modalities including image classification (Digits-DG, PACS, Office-Home) and time series (DSADS, PAMAP2, UCI-HAR, and USC-HAD) demonstrate that our approach significantly outperforms nine state-of-the-art related methods, beating the best performing baseline by 6.5\% on average in terms of test accuracy.

Semantic segmentation is a high level computer vision task that assigns a label for each pixel of an image. It is challengeful to deal with extremely-imbalanced data in which the ratio of target ixels to background pixels is lower than 1:1000. Such severe input imbalance leads to output imbalance for poor model training. This paper considers three issues for extremely-imbalanced data: inspired by the region based loss, an implicit measure for the output imbalance is proposed, and an adaptive algorithm is designed for guiding the output imbalance hyperparameter selection; then it is generalized to distribution based loss for dealing with output imbalance; and finally a compound loss with our adaptive hyperparameter selection alogorithm can keep the consistency of training and inference for harmonizing the output imbalance. With four popular deep architectures on our private dataset with three input imbalance scales and three public datasets, extensive experiments demonstrate the ompetitive/promising performance of the proposed method.

Model-free algorithms for reinforcement learning typically require a condition called Bellman completeness in order to successfully operate off-policy with function approximation, unless additional conditions are met. However, Bellman completeness is a requirement that is much stronger than realizability and that is deemed to be too strong to hold in practice. In this work, we relax this structural assumption and analyze the statistical complexity of off-policy reinforcement learning when only realizability holds for the prescribed function class. We establish finite-sample guarantees for off-policy reinforcement learning that are free of the approximation error term known as inherent Bellman error, and that depend on the interplay of three factors. The first two are well-know: they are the metric entropy of the function class and the concentrability coefficient that represents the cost of learning off-policy. The third factor is new, and it measures the violation of Bellman completeness, namely the mis-alignment between the chosen function class and its image through the Bellman operator. In essence, these error bounds establish that off-policy reinforcement learning remains statistically viable even in absence of Bellman completeness, and characterize the intermediate situation between the favorable Bellman complete setting and the worst-case scenario where exponential lower bounds are in force. Our analysis directly applies to the solution found by temporal difference algorithms when they converge.

We propose GANStrument, a generative adversarial model for instrument sound synthesis. Given a one-shot sound as input, it is able to generate pitched instrument sounds that reflect the timbre of the input within an interactive time. By exploiting instance conditioning, GANStrument achieves better fidelity and diversity of synthesized sounds and generalization ability to various inputs. In addition, we introduce an adversarial training scheme for a pitch-invariant feature extractor that significantly improves the pitch accuracy and timbre consistency. Experimental results show that GANStrument outperforms strong baselines that do not use instance conditioning in terms of generation quality and input editability. Qualitative examples are available online.

Quantifying the deviation of a probability distribution is challenging when the target distribution is defined by a density with an intractable normalizing constant. The kernel Stein discrepancy (KSD) was proposed to address this problem and has been applied to various tasks including diagnosing approximate MCMC samplers and goodness-of-fit testing for unnormalized statistical models. This article investigates a convergence control property of the diffusion kernel Stein discrepancy (DKSD), an instance of the KSD proposed by Barp et al. (2019). We extend the result of Gorham and Mackey (2017), which showed that the KSD controls the bounded-Lipschitz metric, to functions of polynomial growth. Specifically, we prove that the DKSD controls the integral probability metric defined by a class of pseudo-Lipschitz functions, a polynomial generalization of Lipschitz functions. We also provide practical sufficient conditions on the reproducing kernel for the stated property to hold. In particular, we show that the DKSD detects non-convergence in moments with an appropriate kernel.

We explore the downstream task performances for graph neural network (GNN) self-supervised learning (SSL) methods trained on subgraphs extracted from relational databases (RDBs). Intuitively, this joint use of SSL and GNNs should allow to leverage more of the available data, which could translate to better results. However, we found that naively porting contrastive SSL techniques can cause ``negative transfer'': linear evaluation on fixed representations from a pretrained model performs worse than on representations from the randomly-initialized model. Based on the conjecture that contrastive SSL conflicts with the message passing layers of the GNN, we propose InfoNode: a contrastive loss aiming to maximize the mutual information between a node's initial- and final-layer representation. The primary empirical results support our conjecture and the effectiveness of InfoNode.

Sharpness-Aware Minimization (SAM) is a highly effective regularization technique for improving the generalization of deep neural networks for various settings. However, the underlying working of SAM remains elusive because of various intriguing approximations in the theoretical characterizations. SAM intends to penalize a notion of sharpness of the model but implements a computationally efficient variant; moreover, a third notion of sharpness was used for proving generalization guarantees. The subtle differences in these notions of sharpness can indeed lead to significantly different empirical results. This paper rigorously nails down the exact sharpness notion that SAM regularizes and clarifies the underlying mechanism. We also show that the two steps of approximations in the original motivation of SAM individually lead to inaccurate local conclusions, but their combination accidentally reveals the correct effect, when full-batch gradients are applied. Furthermore, we also prove that the stochastic version of SAM in fact regularizes the third notion of sharpness mentioned above, which is most likely to be the preferred notion for practical performance. The key mechanism behind this intriguing phenomenon is the alignment between the gradient and the top eigenvector of Hessian when SAM is applied.

Quantum kernel methods, i.e., kernel methods with quantum kernels, offer distinct advantages as a hybrid quantum-classical approach to quantum machine learning (QML), including applicability to Noisy Intermediate-Scale Quantum (NISQ) devices and usage for solving all types of machine learning problems. Kernel methods rely on the notion of similarity between points in a higher (possibly infinite) dimensional feature space. For machine learning, the notion of similarity assumes that points close in the feature space should be close in the machine learning task space. In this paper, we discuss the use of variational quantum kernels with task-specific quantum metric learning to generate optimal quantum embeddings (a.k.a. quantum feature encodings) that are specific to machine learning tasks. Such task-specific optimal quantum embeddings, implicitly supporting feature selection, are valuable not only to quantum kernel methods in improving the latter's performance, but they can also be valuable to non-kernel QML methods based on parameterized quantum circuits (PQCs) as pretrained embeddings and for transfer learning. This further demonstrates the quantum utility, and quantum advantage (with classically-intractable quantum embeddings), of quantum kernel methods.

Promoting creativity is considered an important goal of education, but creativity is notoriously hard to measure.In this paper, we make the journey fromdefining a formal measure of creativity that is efficientlycomputable to applying the measure in a practical domain. The measure is general and relies on coretheoretical concepts in creativity theory, namely fluency, flexibility, and originality, integratingwith prior cognitive science literature. We adapted the general measure for projects in the popular visual programming language Scratch.We designed a machine learning model for predicting the creativity of Scratch projects, trained and evaluated on human expert creativity assessments in an extensive user study. Our results show that opinions about creativity in Scratch varied widely across experts. The automatic creativity assessment aligned with the assessment of the human experts more than the experts agreed with each other. This is a first step in providing computational models for measuring creativity that can be applied to educational technologies, and to scale up the benefit of creativity education in schools.

Multi-label image classification is a foundational topic in various domains. Multimodal learning approaches have recently achieved outstanding results in image representation and single-label image classification. For instance, Contrastive Language-Image Pretraining (CLIP) demonstrates impressive image-text representation learning abilities and is robust to natural distribution shifts. This success inspires us to leverage multimodal learning for multi-label classification tasks, and benefit from contrastively learnt pretrained models. We propose the Multimodal Multi-label Image Classification (MuMIC) framework, which utilizes a hardness-aware tempered sigmoid based Binary Cross Entropy loss function, thus enables the optimization on multi-label objectives and transfer learning on CLIP. MuMIC is capable of providing high classification performance, handling real-world noisy data, supporting zero-shot predictions, and producing domain-specific image embeddings. In this study, a total of 120 image classes are defined, and more than 140K positive annotations are collected on approximately 60K Booking.com images. The final MuMIC model is deployed on Booking.com Content Intelligence Platform, and it outperforms other state-of-the-art models with 85.6% GAP@10 and 83.8% GAP on all 120 classes, as well as a 90.1% macro mAP score across 32 majority classes. We summarize the modeling choices which are extensively tested through ablation studies. To the best of our knowledge, we are the first to adapt contrastively learnt multimodal pretraining for real-world multi-label image classification problems, and the innovation can be transferred to other domains.

We present a new convolution layer for deep learning architectures which we call QuadConv -- an approximation to continuous convolution via quadrature. Our operator is developed explicitly for use on unstructured data, and accomplishes this by learning a continuous kernel that can be sampled at arbitrary locations. In the setting of neural compression, we show that a QuadConv-based autoencoder, resulting in a Quadrature Convolutional Neural Network (QCNN), can match the performance of standard discrete convolutions on structured uniform data, as in CNNs, and maintain this accuracy on unstructured data.

We propose Okapi, a simple, efficient, and general method for robust semi-supervised learning based on online statistical matching. Our method uses a nearest-neighbours-based matching procedure to generate cross-domain views for a consistency loss, while eliminating statistical outliers. In order to perform the online matching in a runtime- and memory-efficient way, we draw upon the self-supervised literature and combine a memory bank with a slow-moving momentum encoder. The consistency loss is applied within the feature space, rather than on the predictive distribution, making the method agnostic to both the modality and the task in question. We experiment on the WILDS 2.0 datasets Sagawa et al., which significantly expands the range of modalities, applications, and shifts available for studying and benchmarking real-world unsupervised adaptation. Contrary to Sagawa et al., we show that it is in fact possible to leverage additional unlabelled data to improve upon empirical risk minimisation (ERM) results with the right method. Our method outperforms the baseline methods in terms of out-of-distribution (OOD) generalisation on the iWildCam (a multi-class classification task) and PovertyMap (a regression task) image datasets as well as the CivilComments (a binary classification task) text dataset. Furthermore, from a qualitative perspective, we show the matches obtained from the learned encoder are strongly semantically related. Code for our paper is publicly available at https://github.com/wearepal/okapi/.

Environmental perception obtained via object detectors have no predictable safety layer encoded into their model schema, which creates the question of trustworthiness about the system's prediction. As can be seen from recent adversarial attacks, most of the current object detection networks are vulnerable to input tampering, which in the real world could compromise the safety of autonomous vehicles. The problem would be amplified even more when uncertainty errors could not propagate into the submodules, if these are not a part of the end-to-end system design. To address these concerns, a parallel module which verifies the predictions of the object proposals coming out of Deep Neural Networks are required. This work aims to verify 3D object proposals from MonoRUn model by proposing a plausibility framework that leverages cross sensor streams to reduce false positives. The verification metric being proposed uses prior knowledge in the form of four different energy functions, each utilizing a certain prior to output an energy value leading to a plausibility justification for the hypothesis under consideration. We also employ a novel two-step schema to improve the optimization of the composite energy function representing the energy model.

We study the hidden-action principal-agent problem in an online setting. In each round, the principal posts a contract that specifies the payment to the agent based on each outcome. The agent then makes a strategic choice of action that maximizes her own utility, but the action is not directly observable by the principal. The principal observes the outcome and receives utility from the agent's choice of action. Based on past observations, the principal dynamically adjusts the contracts with the goal of maximizing her utility. We introduce an online learning algorithm and provide an upper bound on its Stackelberg regret. We show that when the contract space is $[0,1]^m$, the Stackelberg regret is upper bounded by $\widetilde O(\sqrt{m} \cdot T^{1-C/m})$, and lower bounded by $\Omega(T^{1-1/(m+2)})$. This result shows that exponential-in-$m$ samples are both sufficient and necessary to learn a near-optimal contract, resolving an open problem on the hardness of online contract design. When contracts are restricted to some subset $\mathcal{F} \subset [0,1]^m$, we define an intrinsic dimension of $\mathcal{F}$ that depends on the covering number of the spherical code in the space and bound the regret in terms of this intrinsic dimension. When $\mathcal{F}$ is the family of linear contracts, the Stackelberg regret grows exactly as $\Theta(T^{2/3})$. The contract design problem is challenging because the utility function is discontinuous. Bounding the discretization error in this setting has been an open problem. In this paper, we identify a limited set of directions in which the utility function is continuous, allowing us to design a new discretization method and bound its error. This approach enables the first upper bound with no restrictions on the contract and action space.

Recently, Robey et al. propose a notion of probabilistic robustness, which, at a high-level, requires a classifier to be robust to most but not all perturbations. They show that for certain hypothesis classes where proper learning under worst-case robustness is \textit{not} possible, proper learning under probabilistic robustness \textit{is} possible with sample complexity exponentially smaller than in the worst-case robustness setting. This motivates the question of whether proper learning under probabilistic robustness is always possible. In this paper, we show that this is \textit{not} the case. We exhibit examples of hypothesis classes $\mathcal{H}$ with finite VC dimension that are \textit{not} probabilistically robustly PAC learnable with \textit{any} proper learning rule. However, if we compare the output of the learner to the best hypothesis for a slightly \textit{stronger} level of probabilistic robustness, we show that not only is proper learning \textit{always} possible, but it is possible via empirical risk minimization.

Resistive Random-Access Memory (RRAM) is well-suited to accelerate neural network (NN) workloads as RRAM-based Processing-in-Memory (PIM) architectures natively support highly-parallel multiply-accumulate (MAC) operations that form the backbone of most NN workloads. Unfortunately, NN workloads such as transformers require support for non-MAC operations (e.g., softmax) that RRAM cannot provide natively. Consequently, state-of-the-art works either integrate additional digital logic circuits to support the non-MAC operations or offload the non-MAC operations to CPU/GPU, resulting in significant performance and energy efficiency overheads due to data movement. In this work, we propose NEON, a novel compiler optimization to enable the end-to-end execution of the NN workload in RRAM. The key idea of NEON is to transform each non-MAC operation into a lightweight yet highly-accurate neural network. Utilizing neural networks to approximate the non-MAC operations provides two advantages: 1) We can exploit the key strength of RRAM, i.e., highly-parallel MAC operation, to flexibly and efficiently execute non-MAC operations in memory. 2) We can simplify RRAM's microarchitecture by eliminating the additional digital logic circuits while reducing the data movement overheads. Acceleration of the non-MAC operations in memory enables NEON to achieve a 2.28x speedup compared to an idealized digital logic-based RRAM. We analyze the trade-offs associated with the transformation and demonstrate feasible use cases for NEON across different substrates.

In this paper, negatively inclined buoyant jets, which appear during the discharge of wastewater from processes such as desalination, are observed. To minimize harmful effects and assess environmental impact, a detailed numerical investigation is necessary. The selection of appropriate geometry and working conditions for minimizing such effects often requires numerous experiments and numerical simulations. For this reason, the application of machine learning models is proposed. Several models including Support Vector Regression, Artificial Neural Networks, Random Forests, XGBoost, CatBoost and LightGBM were trained. The dataset was built with numerous OpenFOAM simulations, which were validated by experimental data from previous research. The best prediction was obtained by Artificial Neural Network with an average of R2 0.98 and RMSE 0.28. In order to understand the working of the machine learning model and the influence of all parameters on the geometrical characteristics of inclined buoyant jets, the SHAP feature interpretation method was used.

Graph Neural Networks (GNNs) as deep learning models working on graph-structure data have achieved advanced performance in many works. However, it has been proved repeatedly that, not all edges in a graph are necessary for the training of machine learning models. In other words, some of the connections between nodes may bring redundant or even misleading information to downstream tasks. In this paper, we try to provide a method to drop edges in order to purify the graph data from a new perspective. Specifically, it is a framework to purify graphs with the least loss of information, under which the core problems are how to better evaluate the edges and how to delete the relatively redundant edges with the least loss of information. To address the above two problems, we propose several measurements for the evaluation and different judges and filters for the edge deletion. We also introduce a residual-iteration strategy and a surrogate model for measurements requiring unknown information. The experimental results show that our proposed measurements for KL divergence with constraints to maintain the connectivity of the graph and delete edges in an iterative way can find out the most edges while keeping the performance of GNNs. What's more, further experiments show that this method also achieves the best defense performance against adversarial attacks.

The last few years have seen a lot of work to address the challenge of low-latency and high-throughput convolutional neural network inference. Integrated photonics has the potential to dramatically accelerate neural networks because of its low-latency nature. Combined with the concept of Joint Transform Correlator (JTC), the computationally expensive convolution functions can be computed instantaneously (time of flight of light) with almost no cost. This 'free' convolution computation provides the theoretical basis of the proposed PhotoFourier JTC-based CNN accelerator. PhotoFourier addresses a myriad of challenges posed by on-chip photonic computing in the Fourier domain including 1D lenses and high-cost optoelectronic conversions. The proposed PhotoFourier accelerator achieves more than 28X better energy-delay product compared to state-of-art photonic neural network accelerators.

Harnessing the benefits of drones for urban innovation at scale requires reliable aerial autonomy. One major barrier to advancing aerial autonomy has been collecting large-scale aerial datasets for training machine learning models. Due to costly and time-consuming real-world data collection through deploying drones, there has been an increasing shift towards using synthetic data for training models in drone applications. However, to increase generalizability of trained policies on synthetic data, incorporating domain randomization into the data generation workflow for addressing the sim-to-real problem becomes crucial. Current synthetic data generation tools either lack domain randomization or rely heavily on manual workload or real samples for configuring and generating diverse realistic simulation scenes. These dependencies limit scalability of the data generation workflow. Accordingly, there is a major challenge in balancing generalizability and scalability in synthetic data generation. To address these gaps, we introduce a modular scalable data generation workflow tailored to aerial autonomy applications. To generate realistic configurations of simulation scenes while increasing diversity, we present an adaptive layered domain randomization approach that creates a type-agnostic distribution space for assets over the base map of the environments before pose generation for drone trajectory. We leverage high-level scene structures to automatically place assets in valid configurations and then extend the diversity through obstacle generation and global parameter randomization. We demonstrate the effectiveness of our method in automatically generating diverse configurations and datasets and show its potential for downstream performance optimization. Our work contributes to generating enhanced benchmark datasets for training models that can generalize better to real-world situations.

In this work, we focus on the problem of safe policy transfer in reinforcement learning: we seek to leverage existing policies when learning a new task with specified constraints. This problem is important for safety-critical applications where interactions are costly and unconstrained policies can lead to undesirable or dangerous outcomes, e.g., with physical robots that interact with humans. We propose a Constrained Markov Decision Process (CMDP) formulation that simultaneously enables the transfer of policies and adherence to safety constraints. Our formulation cleanly separates task goals from safety considerations and permits the specification of a wide variety of constraints. Our approach relies on a novel extension of generalized policy improvement to constrained settings via a Lagrangian formulation. We devise a dual optimization algorithm that estimates the optimal dual variable of a target task, thus enabling safe transfer of policies derived from successor features learned on source tasks. Our experiments in simulated domains show that our approach is effective; it visits unsafe states less frequently and outperforms alternative state-of-the-art methods when taking safety constraints into account.

Autonomous underwater vehicles (AUVs) are becoming standard tools for underwater exploration and seabed mapping in both scientific and industrial applications \cite{graham2022rapid, stenius2022system}. Their capacity to dive untethered allows them to reach areas inaccessible to surface vessels and to collect data more closely to the seafloor, regardless of the water depth. However, their navigation autonomy remains bounded by the accuracy of their dead reckoning (DR) estimate of their global position, severely limited in the absence of a priori maps of the area and GPS signal. Global localization systems equivalent to the later exists for the underwater domain, such as LBL or USBL. However they involve expensive external infrastructure and their reliability decreases with the distance to the AUV, making them unsuitable for deep sea surveys.

Neural networks can be trained to solve regression problems by using gradient-based methods to minimize the square loss. However, practitioners often prefer to reformulate regression as a classification problem, observing that training on the cross entropy loss results in better performance. By focusing on two-layer ReLU networks, which can be fully characterized by measures over their feature space, we explore how the implicit bias induced by gradient-based optimization could partly explain the above phenomenon. We provide theoretical evidence that the regression formulation yields a measure whose support can differ greatly from that for classification, in the case of one-dimensional data. Our proposed optimal supports correspond directly to the features learned by the input layer of the network. The different nature of these supports sheds light on possible optimization difficulties the square loss could encounter during training, and we present empirical results illustrating this phenomenon.

Autonomous vehicles currently suffer from a time-inefficient driving style caused by uncertainty about human behavior in traffic interactions. Accurate and reliable prediction models enabling more efficient trajectory planning could make autonomous vehicles more assertive in such interactions. However, the evaluation of such models is commonly oversimplistic, ignoring the asymmetric importance of prediction errors and the heterogeneity of the datasets used for testing. We examine the potential of recasting interactions between vehicles as gap acceptance scenarios and evaluating models in this structured environment. To that end, we develop a framework facilitating the evaluation of any model, by any metric, and in any scenario. We then apply this framework to state-of-the-art prediction models, which all show themselves to be unreliable in the most safety-critical situations.

A long-standing goal in the field of sensory substitution is to enable sound perception for deaf and hard of hearing (DHH) people by visualizing audio content. Different from existing models that translate to hand sign language, between speech and text, or text and images, we target immediate and low-level audio to video translation that applies to generic environment sounds as well as human speech. Since such a substitution is artificial, without labels for supervised learning, our core contribution is to build a mapping from audio to video that learns from unpaired examples via high-level constraints. For speech, we additionally disentangle content from style, such as gender and dialect. Qualitative and quantitative results, including a human study, demonstrate that our unpaired translation approach maintains important audio features in the generated video and that videos of faces and numbers are well suited for visualizing high-dimensional audio features that can be parsed by humans to match and distinguish between sounds and words. Code and models are available at https://chunjinsong.github.io/audioviewer  ( 2 min )

We study the problem of profiling news media on the Web with respect to their factuality of reporting and bias. This is an important but under-studied problem related to disinformation and "fake news" detection, but it addresses the issue at a coarser granularity compared to looking at an individual article or an individual claim. This is useful as it allows to profile entire media outlets in advance. Unlike previous work, which has focused primarily on text (e.g.,~on the text of the articles published by the target website, or on the textual description in their social media profiles or in Wikipedia), here our main focus is on modeling the similarity between media outlets based on the overlap of their audience. This is motivated by homophily considerations, i.e.,~the tendency of people to have connections to people with similar interests, which we extend to media, hypothesizing that similar types of media would be read by similar kinds of users. In particular, we propose GREENER (GRaph nEural nEtwork for News mEdia pRofiling), a model that builds a graph of inter-media connections based on their audience overlap, and then uses graph neural networks to represent each medium. We find that such representations are quite useful for predicting the factuality and the bias of news media outlets, yielding improvements over state-of-the-art results reported on two datasets. When augmented with conventionally used representations obtained from news articles, Twitter, YouTube, Facebook, and Wikipedia, prediction accuracy is found to improve by 2.5-27 macro-F1 points for the two tasks.

Climate change is becoming one of the greatest challenges to the sustainable development of modern society. Renewable energies with low density greatly complicate the online optimization and control processes, where modern advanced computational technologies, specifically quantum computing, have significant potential to help. In this paper, we discuss applications of quantum computing algorithms toward state-of-the-art smart grid problems. We suggest potential, exponential quantum speedup by the use of the Harrow-Hassidim-Lloyd (HHL) algorithms for sparse matrix inversions in power-flow problems. However, practical implementations of the algorithm are limited by the noise of quantum circuits, the hardness of realizations of quantum random access memories (QRAM), and the depth of the required quantum circuits. We benchmark the hardware and software requirements from the state-of-the-art power-flow algorithms, including QRAM requirements from hybrid phonon-transmon systems, and explicit gate counting used in HHL for explicit realizations. We also develop near-term algorithms of power flow by variational quantum circuits and implement real experiments for 6 qubits with a truncated version of power flows.  ( 2 min )

Real-world reinforcement learning tasks often involve some form of partial observability where the observations only give a partial or noisy view of the true state of the world. Such tasks typically require some form of memory, where the agent has access to multiple past observations, in order to perform well. One popular way to incorporate memory is by using a recurrent neural network to access the agent's history. However, recurrent neural networks in reinforcement learning are often fragile and difficult to train, susceptible to catastrophic forgetting and sometimes fail completely as a result. In this work, we propose Deep Transformer Q-Networks (DTQN), a novel architecture utilizing transformers and self-attention to encode an agent's history. DTQN is designed modularly, and we compare results against several modifications to our base model. Our experiments demonstrate the transformer can solve partially observable tasks faster and more stably than previous recurrent approaches.  ( 2 min )

Neural network language model (NNLM) plays an essential role in automatic speech recognition (ASR) systems, especially in adaptation tasks when text-only data is available. In practice, an NNLM is typically trained on a combination of data sampled from multiple corpora. Thus, the data sampling strategy is important to the adaptation performance. Most existing works focus on designing static sampling strategies. However, each corpus may show varying impacts at different NNLM training stages. In this paper, we introduce a novel adaptive multi-corpora training algorithm that dynamically learns and adjusts the sampling probability of each corpus along the training process. The algorithm is robust to corpora sizes and domain relevance. Compared with static sampling strategy baselines, the proposed approach yields remarkable improvement by achieving up to relative 7% and 9% word error rate (WER) reductions on in-domain and out-of-domain adaptation tasks, respectively.

Sparse neural networks attract increasing interest as they exhibit comparable performance to their dense counterparts while being computationally efficient. Pruning the dense neural networks is among the most widely used methods to obtain a sparse neural network. Driven by the high training cost of such methods that can be unaffordable for a low-resource device, training sparse neural networks sparsely from scratch has recently gained attention. However, existing sparse training algorithms suffer from various issues, including poor performance in high sparsity scenarios, computing dense gradient information during training, or pure random topology search. In this paper, inspired by the evolution of the biological brain and the Hebbian learning theory, we present a new sparse training approach that evolves sparse neural networks according to the behavior of neurons in the network. Concretely, by exploiting the cosine similarity metric to measure the importance of the connections, our proposed method, Cosine similarity-based and Random Topology Exploration (CTRE), evolves the topology of sparse neural networks by adding the most important connections to the network without calculating dense gradient in the backward. We carried out different experiments on eight datasets, including tabular, image, and text datasets, and demonstrate that our proposed method outperforms several state-of-the-art sparse training algorithms in extremely sparse neural networks by a large gap. The implementation code is available on https://github.com/zahraatashgahi/CTRE  ( 3 min )

Deep Learning models are easily disturbed by variations in the input images that were not seen during training, resulting in unpredictable behaviours. Such Out-of-Distribution (OOD) images represent a significant challenge in the context of medical image analysis, where the range of possible abnormalities is extremely wide, including artifacts, unseen pathologies, or different imaging protocols. In this work, we evaluate various uncertainty frameworks to detect OOD inputs in the context of Multiple Sclerosis lesions segmentation. By implementing a comprehensive evaluation scheme including 14 sources of OOD of various nature and strength, we show that methods relying on the predictive uncertainty of binary segmentation models often fails in detecting outlying inputs. On the contrary, learning to segment anatomical labels alongside lesions highly improves the ability to detect OOD inputs.

Machine learning and deep learning classification models are data-driven, and the model and the data jointly determine their classification performance. It is biased to evaluate the model's performance only based on the classifier accuracy while ignoring the data separability. Sometimes, the model exhibits excellent accuracy, which might be attributed to its testing on highly separable data. Most of the current studies on data separability measures are defined based on the distance between sample points, but this has been demonstrated to fail in several circumstances. In this paper, we propose a new separability measure--the rate of separability (RS), which is based on the data coding rate. We validate its effectiveness as a supplement to the separability measure by comparing it to four other distance-based measures on synthetic datasets. Then, we demonstrate the positive correlation between the proposed measure and recognition accuracy in a multi-task scenario constructed from a real dataset. Finally, we discuss the methods for evaluating the classification performance of machine learning and deep learning models considering data separability.

Vector-valued Gaussian mixtures form an important special subset of vector-valued distributions. In general, vector-valued distributions constitute natural representations for physical entities, which can mutate or transit among alternative manifestations distributed in a given space. A key example is color imagery. In this note, we vectorize the Gaussian mixture model and study several different optimal mass transport related problems associated to such models. The benefits of using vector Gaussian mixture for optimal mass transport include computational efficiency and the ability to preserve structure.  ( 2 min )

We present RecD (Recommendation Deduplication), a suite of end-to-end infrastructure optimizations across the Deep Learning Recommendation Model (DLRM) training pipeline. RecD addresses immense storage, preprocessing, and training overheads caused by feature duplication inherent in industry-scale DLRM training datasets. Feature duplication arises because DLRM datasets are generated from interactions. While each user session can generate multiple training samples, many features' values do not change across these samples. We demonstrate how RecD exploits this property, end-to-end, across a deployed training pipeline. RecD optimizes data generation pipelines to decrease dataset storage and preprocessing resource demands and to maximize duplication within a training batch. RecD introduces a new tensor format, InverseKeyedJaggedTensors (IKJTs), to deduplicate feature values in each batch. We show how DLRM model architectures can leverage IKJTs to drastically increase training throughput. RecD improves the training and preprocessing throughput and storage efficiency by up to 2.49x, 1.79x, and 3.71x, respectively, in an industry-scale DLRM training system.

Recent research in clustering face embeddings has found that unsupervised, shallow, heuristic-based methods -- including $k$-means and hierarchical agglomerative clustering -- underperform supervised, deep, inductive methods. While the reported improvements are indeed impressive, experiments are mostly limited to face datasets, where the clustered embeddings are highly discriminative or well-separated by class (Recall@1 above 90% and often nearing ceiling), and the experimental methodology seemingly favors the deep methods. We conduct a large-scale empirical study of 17 clustering methods across three datasets and obtain several robust findings. Notably, deep methods are surprisingly fragile for embeddings with more uncertainty, where they match or even perform worse than shallow, heuristic-based methods. When embeddings are highly discriminative, deep methods do outperform the baselines, consistent with past results, but the margin between methods is much smaller than previously reported. We believe our benchmarks broaden the scope of supervised clustering methods beyond the face domain and can serve as a foundation on which these methods could be improved. To enable reproducibility, we include all necessary details in the appendices, and plan to release the code.

The recent development of Monkeypox disease among various nations poses a global pandemic threat when the world is still fighting Coronavirus Disease-2019 (COVID-19). At its dawn, the slow and steady transmission of Monkeypox disease among individuals needs to be addressed seriously. Over the years, Deep learning (DL) based disease prediction has demonstrated true potential by providing early, cheap, and affordable diagnosis facilities. Considering this opportunity, we have conducted two studies where we modified and tested six distinct deep learning models-VGG16, InceptionResNetV2, ResNet50, ResNet101, MobileNetV2, and VGG19-using transfer learning approaches. Our preliminary computational results show that the proposed modified InceptionResNetV2 and MobileNetV2 models perform best by achieving an accuracy ranging from 93% to 99%. Our findings are reinforced by recent academic work that demonstrates improved performance in constructing multiple disease diagnosis models using transfer learning approaches. Lastly, we further explain our model prediction using Local Interpretable Model-Agnostic Explanations (LIME), which play an essential role in identifying important features that characterize the onset of Monkeypox disease.

We study a novel and important communication pattern in large-scale model-parallel deep learning (DL), which we call cross-mesh resharding. This pattern emerges when the two paradigms of model parallelism - intra-operator and inter-operator parallelism - are combined to support large models on large clusters. In cross-mesh resharding, a sharded tensor needs to be sent from a source device mesh to a destination device mesh, on which the tensor may be distributed with the same or different layouts. We formalize this as a many-to-many multicast communication problem, and show that existing approaches either are sub-optimal or do not generalize to different network topologies or tensor layouts, which result from different model architectures and parallelism strategies. We then propose two contributions to address cross-mesh resharding: an efficient broadcast-based communication system, and an "overlapping-friendly" pipeline schedule. On microbenchmarks, our overall system outperforms existing ones by up to 10x across various tensor and mesh layouts. On end-to-end training of two large models, GPT-3 and U-Transformer, we improve throughput by 10% and 50%, respectively.  ( 2 min )

A significant level of stigma and inequality exists in mental healthcare, especially in under-served populations, which spreads through collected data. When not properly accounted for, machine learning (ML) models learned from data can reinforce the structural biases already present in society. Here, we present a systematic study of bias in ML models designed to predict depression in four different case studies covering different countries and populations. We find that standard ML approaches show regularly biased behaviors. However, we show that standard mitigation techniques, and our own post-hoc method, can be effective in reducing the level of unfair bias. We provide practical recommendations to develop ML models for depression risk prediction with increased fairness and trust in the real world. No single best ML model for depression prediction provides equality of outcomes. This emphasizes the importance of analyzing fairness during model selection and transparent reporting about the impact of debiasing interventions.  ( 2 min )

Human skeleton point clouds are commonly used to automatically classify and predict the behaviour of others. In this paper, we use a contrastive self-supervised learning method, SimCLR, to learn representations that capture the semantics of skeleton point clouds. This work focuses on systematically evaluating the effects that different algorithmic decisions (including augmentations, dataset partitioning and backbone architecture) have on the learned skeleton representations. To pre-train the representations, we normalise six existing datasets to obtain more than 40 million skeleton frames. We evaluate the quality of the learned representations with three downstream tasks: skeleton reconstruction, motion prediction, and activity classification. Our results demonstrate the importance of 1) combining spatial and temporal augmentations, 2) including additional datasets for encoder training, and 3) and using a graph neural network as an encoder.  ( 2 min )

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. However, the workflows, computational patterns, communication patterns, and optimization techniques of distributed GNN training remain preliminarily understood. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.  ( 2 min )

Suppose we are given an $n$-dimensional order-3 symmetric tensor $T \in (\mathbb{R}^n)^{\otimes 3}$ that is the sum of $r$ random rank-1 terms. The problem of recovering the rank-1 components is possible in principle when $r \lesssim n^2$ but polynomial-time algorithms are only known in the regime $r \ll n^{3/2}$. Similar "statistical-computational gaps" occur in many high-dimensional inference tasks, and in recent years there has been a flurry of work on explaining the apparent computational hardness in these problems by proving lower bounds against restricted (yet powerful) models of computation such as statistical queries (SQ), sum-of-squares (SoS), and low-degree polynomials (LDP). However, no such prior work exists for tensor decomposition, largely because its hardness does not appear to be explained by a "planted versus null" testing problem. We consider a model for random order-3 tensor decomposition where one component is slightly larger in norm than the rest (to break symmetry), and the components are drawn uniformly from the hypercube. We resolve the computational complexity in the LDP model: $O(\log n)$-degree polynomial functions of the tensor entries can accurately estimate the largest component when $r \ll n^{3/2}$ but fail to do so when $r \gg n^{3/2}$. This provides rigorous evidence suggesting that the best known algorithms for tensor decomposition cannot be improved, at least by known approaches. A natural extension of the result holds for tensors of any fixed order $k \ge 3$, in which case the LDP threshold is $r \sim n^{k/2}$.  ( 2 min )

Real-time air pollution monitoring is a valuable tool for public health and environmental surveillance. In recent years, there has been a dramatic increase in air pollution forecasting and monitoring research using artificial neural networks (ANNs). Most of the prior work relied on modeling pollutant concentrations collected from ground-based monitors and meteorological data for long-term forecasting of outdoor ozone, oxides of nitrogen, and PM2.5. Given that traditional, highly sophisticated air quality monitors are expensive and are not universally available, these models cannot adequately serve those not living near pollutant monitoring sites. Furthermore, because prior models were built on physical measurement data collected from sensors, they may not be suitable for predicting public health effects experienced from pollution exposure. This study aims to develop and validate models to nowcast the observed pollution levels using Web search data, which is publicly available in near real-time from major search engines. We developed novel machine learning-based models using both traditional supervised classification methods and state-of-the-art deep learning methods to detect elevated air pollution levels at the US city level, by using generally available meteorological data and aggregate Web-based search volume data derived from Google Trends. We validated the performance of these methods by predicting three critical air pollutants (ozone (O3), nitrogen dioxide (NO2), and fine particulate matter (PM2.5)), across ten major U.S. metropolitan statistical areas (MSAs) in 2017 and 2018.  ( 3 min )

Biomedical knowledge graphs (KG) are heterogenous networks consisting of biological entities as nodes and relations between them as edges. These entities and relations are extracted from millions of research papers and unified in a single resource. The goal of biomedical multi-hop question-answering over knowledge graph (KGQA) is to help biologist and scientist to get valuable insights by asking questions in natural language. Relevant answers can be found by first understanding the question and then querying the KG for right set of nodes and relationships to arrive at an answer. To model the question, language models such as RoBERTa and BioBERT are used to understand context from natural language question. One of the challenges in KGQA is missing links in the KG. Knowledge graph embeddings (KGE) help to overcome this problem by encoding nodes and edges in a dense and more efficient way. In this paper, we use a publicly available KG called Hetionet which is an integrative network of biomedical knowledge assembled from 29 different databases of genes, compounds, diseases, and more. We have enriched this KG dataset by creating a multi-hop biomedical question-answering dataset in natural language for testing the biomedical multi-hop question-answering system and this dataset will be made available to the research community. The major contribution of this research is an integrated system that combines language models with KG embeddings to give highly relevant answers to free-form questions asked by biologists in an intuitive interface. Biomedical multi-hop question-answering system is tested on this data and results are highly encouraging.  ( 3 min )

This work proposes a model for continual learning on tasks involving temporal sequences, specifically, human motions. It improves on a recently proposed brain-inspired replay model (BI-R) by building a biologically-inspired conditional temporal variational autoencoder (BI-CTVAE), which instantiates a latent mixture-of-Gaussians for class representation. We investigate a novel continual-learning-to-generate (CL2Gen) scenario where the model generates motion sequences of different classes. The generative accuracy of the model is tested over a set of tasks. The final classification accuracy of BI-CTVAE on a human motion dataset after sequentially learning all action classes is 78%, which is 63% higher than using no-replay, and only 5.4% lower than a state-of-the-art offline trained GRU model.  ( 2 min )

Selecting subsets of features that differentiate between two conditions is a key task in a broad range of scientific domains. In many applications, the features of interest form clusters with similar effects on the data at hand. To recover such clusters we develop DiSC, a data-driven approach for detecting groups of features that differentiate between conditions. For each condition, we construct a graph whose nodes correspond to the features and whose weights are functions of the similarity between them for that condition. We then apply a spectral approach to compute subsets of nodes whose connectivity differs significantly between the condition-specific feature graphs. On the theoretical front, we analyze our approach with a toy example based on the stochastic block model. We evaluate DiSC on a variety of datasets, including MNIST, hyperspectral imaging, simulated scRNA-seq and task fMRI, and demonstrate that DiSC uncovers features that better differentiate between conditions compared to competing methods.  ( 2 min )

We present 2-dimensional turbulent electric field calculations via physics-informed deep learning consistent with (i) drift-reduced Braginskii theory under the framework of an axisymmetric fusion plasma with purely toroidal field and (ii) experimental estimates of the fluctuating electron density and temperature on open field lines obtained from analysis of gas puff imaging of a discharge on the Alcator C-Mod tokamak. The inclusion of effects from the locally puffed atomic helium on particle and energy sources within the reduced plasma turbulence model are found to strengthen correlations between the electric field and electron pressure. The neutrals are also directly associated with broadening the distribution of turbulent field amplitudes and increasing ${\bf E \times B}$ shearing rates. This demonstrates a novel approach in plasma experiments by solving for nonlinear dynamics consistent with partial differential equations and data without encoding explicit boundary nor initial conditions.

Learning high-dimensional distributions is often done with explicit likelihood modeling or implicit modeling via minimizing integral probability metrics (IPMs). In this paper, we expand this learning paradigm to stochastic orders, namely, the convex or Choquet order between probability measures. Towards this end, exploiting the relation between convex orders and optimal transport, we introduce the Choquet-Toland distance between probability measures, that can be used as a drop-in replacement for IPMs. We also introduce the Variational Dominance Criterion (VDC) to learn probability measures with dominance constraints, that encode the desired stochastic order between the learned measure and a known baseline. We analyze both quantities and show that they suffer from the curse of dimensionality and propose surrogates via input convex maxout networks (ICMNs), that enjoy parametric rates. We provide a min-max framework for learning with stochastic orders and validate it experimentally on synthetic and high-dimensional image generation, with promising results. Finally, our ICMNs class of convex functions and its derived Rademacher Complexity are of independent interest beyond their application in convex orders.

The seminal work of Cohen and Peng introduced Lewis weight sampling to the theoretical computer science community, yielding fast row sampling algorithms for approximating $d$-dimensional subspaces of $\ell_p$ up to $(1+\epsilon)$ error. Several works have extended this important primitive to other settings, including the online coreset, sliding window, and adversarial streaming models. However, these results are only for $p\in\{1,2\}$, and results for $p=1$ require a suboptimal $\tilde O(d^2/\epsilon^2)$ samples. In this work, we design the first nearly optimal $\ell_p$ subspace embeddings for all $p\in(0,\infty)$ in the online coreset, sliding window, and the adversarial streaming models. In all three models, our algorithms store $\tilde O(d^{1\lor(p/2)}/\epsilon^2)$ rows. This answers a substantial generalization of the main open question of [BDMMUWZ2020], and gives the first results for all $p\notin\{1,2\}$. Towards our result, we give the first analysis of "one-shot'' Lewis weight sampling of sampling rows proportionally to their Lewis weights, with sample complexity $\tilde O(d^{p/2}/\epsilon^2)$ for $p>2$. Previously, this scheme was only known to have sample complexity $\tilde O(d^{p/2}/\epsilon^5)$, whereas $\tilde O(d^{p/2}/\epsilon^2)$ is known if a more sophisticated recursive sampling is used. The recursive sampling cannot be implemented online, thus necessitating an analysis of one-shot Lewis weight sampling. Our analysis uses a novel connection to online numerical linear algebra. As an application, we obtain the first one-pass streaming coreset algorithms for $(1+\epsilon)$ approximation of important generalized linear models, such as logistic regression and $p$-probit regression. Our upper bounds are parameterized by a complexity parameter $\mu$ introduced by [MSSW2018], and we show the first lower bounds showing that a linear dependence on $\mu$ is necessary.

Simulation-based inference (SBI) solves statistical inverse problems by repeatedly running a stochastic simulator and inferring posterior distributions from model-simulations. To improve simulation efficiency, several inference methods take a sequential approach and iteratively adapt the proposal distributions from which model simulations are generated. However, many of these sequential methods are difficult to use in practice, both because the resulting optimisation problems can be challenging and efficient diagnostic tools are lacking. To overcome these issues, we present Truncated Sequential Neural Posterior Estimation (TSNPE). TSNPE performs sequential inference with truncated proposals, sidestepping the optimisation issues of alternative approaches. In addition, TSNPE allows to efficiently perform coverage tests that can scale to complex models with many parameters. We demonstrate that TSNPE performs on par with previous methods on established benchmark tasks. We then apply TSNPE to two challenging problems from neuroscience and show that TSNPE can successfully obtain the posterior distributions, whereas previous methods fail. Overall, our results demonstrate that TSNPE is an efficient, accurate, and robust inference method that can scale to challenging scientific models.

We consider the decentralized exploration problem: a set of players collaborate to identify the best arm by asynchronously interacting with the same stochastic environment. The objective is to insure privacy in the best arm identification problem between asynchronous, collaborative, and thrifty players. In the context of a digital service, we advocate that this decentralized approach allows a good balance between the interests of users and those of service providers: the providers optimize their services, while protecting the privacy of the users and saving resources. We define the privacy level as the amount of information an adversary could infer by intercepting the messages concerning a single user. We provide a generic algorithm Decentralized Elimination, which uses any best arm identification algorithm as a subroutine. We prove that this algorithm insures privacy, with a low communication cost, and that in comparison to the lower bound of the best arm identification problem, its sample complexity suffers from a penalty depending on the inverse of the probability of the most frequent players. Then, thanks to the genericity of the approach, we extend the proposed algorithm to the non-stationary bandits. Finally, experiments illustrate and complete the analysis.  ( 3 min )

In this paper, we investigate the impact of diverse user preference on learning under the stochastic multi-armed bandit (MAB) framework. We aim to show that when the user preferences are sufficiently diverse and each arm can be optimal for certain users, the O(log T) regret incurred by exploring the sub-optimal arms under the standard stochastic MAB setting can be reduced to a constant. Our intuition is that to achieve sub-linear regret, the number of times an optimal arm being pulled should scale linearly in time; when all arms are optimal for certain users and pulled frequently, the estimated arm statistics can quickly converge to their true values, thus reducing the need of exploration dramatically. We cast the problem into a stochastic linear bandits model, where both the users preferences and the state of arms are modeled as {independent and identical distributed (i.i.d)} d-dimensional random vectors. After receiving the user preference vector at the beginning of each time slot, the learner pulls an arm and receives a reward as the linear product of the preference vector and the arm state vector. We also assume that the state of the pulled arm is revealed to the learner once its pulled. We propose a Weighted Upper Confidence Bound (W-UCB) algorithm and show that it can achieve a constant regret when the user preferences are sufficiently diverse. The performance of W-UCB under general setups is also completely characterized and validated with synthetic data.  ( 3 min )

Suppose we are given an $n$-dimensional order-3 symmetric tensor $T \in (\mathbb{R}^n)^{\otimes 3}$ that is the sum of $r$ random rank-1 terms. The problem of recovering the rank-1 components is possible in principle when $r \lesssim n^2$ but polynomial-time algorithms are only known in the regime $r \ll n^{3/2}$. Similar "statistical-computational gaps" occur in many high-dimensional inference tasks, and in recent years there has been a flurry of work on explaining the apparent computational hardness in these problems by proving lower bounds against restricted (yet powerful) models of computation such as statistical queries (SQ), sum-of-squares (SoS), and low-degree polynomials (LDP). However, no such prior work exists for tensor decomposition, largely because its hardness does not appear to be explained by a "planted versus null" testing problem. We consider a model for random order-3 tensor decomposition where one component is slightly larger in norm than the rest (to break symmetry), and the components are drawn uniformly from the hypercube. We resolve the computational complexity in the LDP model: $O(\log n)$-degree polynomial functions of the tensor entries can accurately estimate the largest component when $r \ll n^{3/2}$ but fail to do so when $r \gg n^{3/2}$. This provides rigorous evidence suggesting that the best known algorithms for tensor decomposition cannot be improved, at least by known approaches. A natural extension of the result holds for tensors of any fixed order $k \ge 3$, in which case the LDP threshold is $r \sim n^{k/2}$.  ( 2 min )

Convolutional Neural Networks (CNNs) are commonly thought to recognise objects by learning increasingly complex representations of object shapes. Some recent studies suggest a more important role of image textures. We here put these conflicting hypotheses to a quantitative test by evaluating CNNs and human observers on images with a texture-shape cue conflict. We show that ImageNet-trained CNNs are strongly biased towards recognising textures rather than shapes, which is in stark contrast to human behavioural evidence and reveals fundamentally different classification strategies. We then demonstrate that the same standard architecture (ResNet-50) that learns a texture-based representation on ImageNet is able to learn a shape-based representation instead when trained on "Stylized-ImageNet", a stylized version of ImageNet. This provides a much better fit for human behavioural performance in our well-controlled psychophysical lab setting (nine experiments totalling 48,560 psychophysical trials across 97 observers) and comes with a number of unexpected emergent benefits such as improved object detection performance and previously unseen robustness towards a wide range of image distortions, highlighting advantages of a shape-based representation.  ( 3 min )

Some phenomena related to statistical noise which have been investigated by various authors under the framework of deep reinforcement learning (RL) algorithms are discussed. The following algorithms are examined: the deep Q-network (DQN), double DQN, deep deterministic policy gradient (DDPG), twin-delayed DDPG (TD3), and hill climbing algorithm. First, we consider overestimation, which is a harmful property resulting from noise. Then we deal with noise used for exploration, this is the useful noise. We discuss setting the noise parameter in the TD3 for typical PyBullet environments associated with articulate bodies such as HopperBulletEnv and Walker2DBulletEnv. In the appendix, in relation to the hill climbing algorithm, another example related to noise is considered - an example of adaptive noise.  ( 2 min )

We consider optimizing a function network in the noise-free grey-box setting with RKHS function classes, where the exact intermediate results are observable. We assume that the structure of the network is known (but not the underlying functions comprising it), and we study three types of structures: (1) chain: a cascade of scalar-valued functions, (2) multi-output chain: a cascade of vector-valued functions, and (3) feed-forward network: a fully connected feed-forward network of scalar-valued functions. We propose a sequential upper confidence bound based algorithm GPN-UCB along with a general theoretical upper bound on the cumulative regret. For the Mat\'ern kernel, we additionally propose a non-adaptive sampling based method along with its theoretical upper bound on the simple regret. We also provide algorithm-independent lower bounds on the simple regret and cumulative regret, showing that GPN-UCB is near-optimal for chains and multi-output chains in broad cases of interest.  ( 2 min )

While there have been a number of remarkable breakthroughs in machine learning (ML), much of the focus has been placed on model development. However, to truly realize the potential of machine learning in real-world settings, additional aspects must be considered across the ML pipeline. Data-centric AI is emerging as a unifying paradigm that could enable such reliable end-to-end pipelines. However, this remains a nascent area with no standardized framework to guide practitioners to the necessary data-centric considerations or to communicate the design of data-centric driven ML systems. To address this gap, we propose DC-Check, an actionable checklist-style framework to elicit data-centric considerations at different stages of the ML pipeline: Data, Training, Testing, and Deployment. This data-centric lens on development aims to promote thoughtfulness and transparency prior to system development. Additionally, we highlight specific data-centric AI challenges and research opportunities. DC-Check is aimed at both practitioners and researchers to guide day-to-day development. As such, to easily engage with and use DC-Check and associated resources, we provide a DC-Check companion website (https://www.vanderschaar-lab.com/dc-check/). The website will also serve as an updated resource as methods and tooling evolve over time.  ( 2 min )

Obtaining a dynamic population distribution is key to many decision-making processes such as urban planning, disaster management and most importantly helping the government to better allocate socio-technical supply. For the aspiration of these objectives, good population data is essential. The traditional method of collecting population data through the census is expensive and tedious. In recent years, statistical and machine learning methods have been developed to estimate population distribution. Most of the methods use data sets that are either developed on a small scale or not publicly available yet. Thus, the development and evaluation of new methods become challenging. We fill this gap by providing a comprehensive data set for population estimation in 98 European cities. The data set comprises a digital elevation model, local climate zone, land use proportions, nighttime lights in combination with multi-spectral Sentinel-2 imagery, and data from the Open Street Map initiative. We anticipate that it would be a valuable addition to the research community for the development of sophisticated approaches in the field of population estimation.  ( 2 min )

Recently, Robey et al. propose a notion of probabilistic robustness, which, at a high-level, requires a classifier to be robust to most but not all perturbations. They show that for certain hypothesis classes where proper learning under worst-case robustness is \textit{not} possible, proper learning under probabilistic robustness \textit{is} possible with sample complexity exponentially smaller than in the worst-case robustness setting. This motivates the question of whether proper learning under probabilistic robustness is always possible. In this paper, we show that this is \textit{not} the case. We exhibit examples of hypothesis classes $\mathcal{H}$ with finite VC dimension that are \textit{not} probabilistically robustly PAC learnable with \textit{any} proper learning rule. However, if we compare the output of the learner to the best hypothesis for a slightly \textit{stronger} level of probabilistic robustness, we show that not only is proper learning \textit{always} possible, but it is possible via empirical risk minimization.  ( 2 min )

There has been a recent surge of interest in the study of asymptotic reconstruction performance in various cases of generalized linear estimation problems in the teacher-student setting, especially for the case of i.i.d standard normal matrices. Here, we go beyond these matrices, and prove an analytical formula for the reconstruction performance of convex generalized linear models with rotationally-invariant data matrices with arbitrary bounded spectrum, rigorously confirming, under suitable assumptions, a conjecture originally derived using the replica method from statistical physics. The proof is achieved by leveraging on message passing algorithms and the statistical properties of their iterates, allowing to characterize the asymptotic empirical distribution of the estimator. For sufficiently strongly convex problems, we show that the two-layer vector approximate message passing algorithm (2-MLVAMP) converges, where the convergence analysis is done by checking the stability of an equivalent dynamical system, which gives the result for such problems. We then show that, under a concentration assumption, an analytical continuation may be carried out to extend the result to convex (non-strongly) problems. We illustrate our claim with numerical examples on mainstream learning methods such as sparse logistic regression and linear support vector classifiers, showing excellent agreement between moderate size simulation and the asymptotic prediction.  ( 3 min )

We present sketched linear discriminant analysis, an iterative randomized approach to binary-class Gaussian model linear discriminant analysis (LDA) for very large data. We harness a least squares formulation and mobilize the stochastic gradient descent framework. Therefore, we obtain a randomized classifier with performance that is very comparable to that of full data LDA while requiring access to only one row of the training data at a time. We present convergence guarantees for the sketched predictions on new data within a fixed number of iterations. These guarantees account for both the Gaussian modeling assumptions on the data and algorithmic randomness from the sketching procedure. Finally, we demonstrate performance with varying step-sizes and numbers of iterations. Our numerical experiments demonstrate that sketched LDA can offer a very viable alternative to full data LDA when the data may be too large for full data analysis.  ( 2 min )

Viscosity in the metallurgical and glass industry plays a fundamental role in its production processes, also in the area of geophysics. As its experimental measurement is financially expensive, also in terms of time, several mathematical models were built to provide viscosity results as a function of several variables, such as chemical composition and temperature, in linear and nonlinear models. A database was built in order to produce a nonlinear model by artificial neural networks by variation of hyperparameters to provide reliable predictions of viscosity in relation to chemical systems and temperatures. The model produced named Viskositas demonstrated better statistical evaluations of mean absolute error, standard deviation and coefficient of determination in relation to the test database when compared to different models from literature and 1 commercial model, offering predictions with lower errors, less variability and less generation of outliers.  ( 2 min )

Neural networks can be trained to solve regression problems by using gradient-based methods to minimize the square loss. However, practitioners often prefer to reformulate regression as a classification problem, observing that training on the cross entropy loss results in better performance. By focusing on two-layer ReLU networks, which can be fully characterized by measures over their feature space, we explore how the implicit bias induced by gradient-based optimization could partly explain the above phenomenon. We provide theoretical evidence that the regression formulation yields a measure whose support can differ greatly from that for classification, in the case of one-dimensional data. Our proposed optimal supports correspond directly to the features learned by the input layer of the network. The different nature of these supports sheds light on possible optimization difficulties the square loss could encounter during training, and we present empirical results illustrating this phenomenon.  ( 2 min )

Bilevel optimization, the problem of minimizing a value function which involves the arg-minimum of another function, appears in many areas of machine learning. In a large scale empirical risk minimization setting where the number of samples is huge, it is crucial to develop stochastic methods, which only use a few samples at a time to progress. However, computing the gradient of the value function involves solving a linear system, which makes it difficult to derive unbiased stochastic estimates. To overcome this problem we introduce a novel framework, in which the solution of the inner problem, the solution of the linear system, and the main variable evolve at the same time. These directions are written as a sum, making it straightforward to derive unbiased estimates. The simplicity of our approach allows us to develop global variance reduction algorithms, where the dynamics of all variables is subject to variance reduction. We demonstrate that SABA, an adaptation of the celebrated SAGA algorithm in our framework, has $O(\frac1T)$ convergence rate, and that it achieves linear convergence under Polyak-Lojasciewicz assumption. This is the first stochastic algorithm for bilevel optimization that verifies either of these properties. Numerical experiments validate the usefulness of our method.  ( 2 min )

Multiple lines of evidence strongly suggest that infection hotspots, where a single individual infects many others, play a key role in the transmission dynamics of COVID-19. However, most of the existing epidemiological models fail to capture this aspect by neither representing the sites visited by individuals explicitly nor characterizing disease transmission as a function of individual mobility patterns. In this work, we introduce a temporal point process modeling framework that specifically represents visits to the sites where individuals get in contact and infect each other. Under our model, the number of infections caused by an infectious individual naturally emerges to be overdispersed. Using an efficient sampling algorithm, we demonstrate how to estimate the transmission rate of infectious individuals at the sites they visit and in their households using Bayesian optimization and longitudinal case data. Simulations using fine-grained and publicly available demographic data and site locations from Bern, Switzerland showcase the flexibility of our framework. To facilitate research and analyses of other cities and regions, we release an open-source implementation of our framework.  ( 3 min )

In domain adaptation, when there is a large distance between the source and target domains, the prediction performance will degrade. Gradual domain adaptation is one of the solutions to such an issue, assuming that we have access to intermediate domains, which shift gradually from the source to the target domain. In previous works, it was assumed that the number of samples in the intermediate domains was sufficiently large; hence, self-training was possible without the need for labeled data. If the number of accessible intermediate domains is restricted, the distances between domains become large, and self-training will fail. Practically, the cost of samples in intermediate domains will vary, and it is natural to consider that the closer an intermediate domain is to the target domain, the higher the cost of obtaining samples from the intermediate domain is. To solve the trade-off between cost and accuracy, we propose a framework that combines multifidelity and active domain adaptation. The effectiveness of the proposed method is evaluated by experiments with real-world datasets.  ( 2 min )

Pre-trained protein language models have demonstrated significant applicability in different protein engineering task. A general usage of these pre-trained transformer models latent representation is to use a mean pool across residue positions to reduce the feature dimensions to further downstream tasks such as predicting bio-physics properties or other functional behaviours. In this paper we provide a two-fold contribution to machine learning (ML) driven drug design. Firstly, we demonstrate the power of sparsity by promoting penalization of pre-trained transformer models to secure more robust and accurate melting temperature (Tm) prediction of single-chain variable fragments with a mean absolute error of 0.23C. Secondly, we demonstrate the power of framing our prediction problem in a probabilistic framework. Specifically, we advocate for the need of adopting probabilistic frameworks especially in the context of ML driven drug design.  ( 2 min )

In this paper, negatively inclined buoyant jets, which appear during the discharge of wastewater from processes such as desalination, are observed. To minimize harmful effects and assess environmental impact, a detailed numerical investigation is necessary. The selection of appropriate geometry and working conditions for minimizing such effects often requires numerous experiments and numerical simulations. For this reason, the application of machine learning models is proposed. Several models including Support Vector Regression, Artificial Neural Networks, Random Forests, XGBoost, CatBoost and LightGBM were trained. The dataset was built with numerous OpenFOAM simulations, which were validated by experimental data from previous research. The best prediction was obtained by Artificial Neural Network with an average of R2 0.98 and RMSE 0.28. In order to understand the working of the machine learning model and the influence of all parameters on the geometrical characteristics of inclined buoyant jets, the SHAP feature interpretation method was used.  ( 2 min )

Vector-valued Gaussian mixtures form an important special subset of vector-valued distributions. In general, vector-valued distributions constitute natural representations for physical entities, which can mutate or transit among alternative manifestations distributed in a given space. A key example is color imagery. In this note, we vectorize the Gaussian mixture model and study several different optimal mass transport related problems associated to such models. The benefits of using vector Gaussian mixture for optimal mass transport include computational efficiency and the ability to preserve structure.  ( 2 min )

Steady-state models which have been learned from historical operational data may be unfit for model-based optimization unless correlations in the training data which are introduced by control are accounted for. Using recent results from work on structural dynamical causal models, we derive a formula for adjusting for this control confounding, enabling the estimation of a causal steady-state model from closed-loop steady-state data. The formula assumes that the available data have been gathered under some fixed control law. It works by estimating and taking into account the disturbance which the controller is trying to counteract, and enables learning from data gathered under both feedforward and feedback control.  ( 2 min )

Scientists continue to develop increasingly complex mechanistic models to reflect their knowledge more realistically. Statistical inference using these models can be highly challenging, since the corresponding likelihood function is often intractable, and model simulation may be computationally burdensome or infeasible. Fortunately, in many of these situations, it is possible to adopt a surrogate model or approximate likelihood function. It may be convenient to base Bayesian inference directly on the surrogate, but this can result in bias and poor uncertainty quantification. In this paper we propose a new method for adjusting approximate posterior samples to reduce bias and produce more accurate uncertainty quantification. We do this by optimising a transform of the approximate posterior that minimises a scoring rule. Our approach requires only a (fixed) small number of complex model simulations and is numerically stable. We demonstrate good performance of the new method on several examples of increasing complexity.  ( 2 min )

In this paper, we address the stochastic contextual linear bandit problem, where a decision maker is provided a context (a random set of actions drawn from a distribution). The expected reward of each action is specified by the inner product of the action and an unknown parameter. The goal is to design an algorithm that learns to play as close as possible to the unknown optimal policy after a number of action plays. This problem is considered more challenging than the linear bandit problem, which can be viewed as a contextual bandit problem with a \emph{fixed} context. Surprisingly, in this paper, we show that the stochastic contextual problem can be solved as if it is a linear bandit problem. In particular, we establish a novel reduction framework that converts every stochastic contextual linear bandit instance to a linear bandit instance, when the context distribution is known. When the context distribution is unknown, we establish an algorithm that reduces the stochastic contextual instance to a sequence of linear bandit instances with small misspecifications and achieves nearly the same worst-case regret bound as the algorithm that solves the misspecified linear bandit instances. As a consequence, our results imply a $O(d\sqrt{T\log T})$ high-probability regret bound for contextual linear bandits, making progress in resolving an open problem in (Li et al., 2019), (Li et al., 2021). Our reduction framework opens up a new way to approach stochastic contextual linear bandit problems, and enables improved regret bounds in a number of instances including the batch setting, contextual bandits with misspecifications, contextual bandits with sparse unknown parameters, and contextual bandits with adversarial corruption.  ( 3 min )

In this note, we introduce a family of "power sum" kernels and the corresponding Gaussian processes on symmetric groups $\mathrm{S}_n$. Such processes are bi-invariant: the action of $\mathrm{S}_n$ on itself from both sides does not change their finite-dimensional distributions. We show that the values of power sum kernels can be efficiently calculated, and we also propose a method enabling approximate sampling of the corresponding Gaussian processes with polynomial computational complexity. By doing this we provide the tools that are required to use the introduced family of kernels and the respective processes for statistical modeling and machine learning.  ( 2 min )

We consider the problem of decision-making under uncertainty in an environment with safety constraints. Many business and industrial applications rely on real-time optimization with changing inputs to improve key performance indicators. In the case of unknown environmental characteristics, real-time optimization becomes challenging, particularly for the satisfaction of safety constraints. We propose the ARTEO algorithm, where we cast multi-armed bandits as a mathematical programming problem subject to safety constraints and learn the environmental characteristics through changes in optimization inputs and through exploration. We quantify the uncertainty in unknown characteristics by using Gaussian processes and incorporate it into the utility function as a contribution which drives exploration. We adaptively control the size of this contribution using a heuristic in accordance with the requirements of the environment. We guarantee the safety of our algorithm with a high probability through confidence bounds constructed under the regularity assumptions of Gaussian processes. Compared to existing safe-learning approaches, our algorithm does not require an exclusive exploration phase and follows the optimization goals even in the explored points, which makes it suitable for safety-critical systems. We demonstrate the safety and efficiency of our approach with two experiments: an industrial process and an online bid optimization benchmark problem.  ( 2 min )

Many datasets are biased, namely they contain easy-to-learn features that are highly correlated with the target class only in the dataset but not in the true underlying distribution of the data. For this reason, learning unbiased models from biased data has become a very relevant research topic in the last years. In this work, we tackle the problem of learning representations that are robust to biases. We first present a margin-based theoretical framework that allows us to clarify why recent contrastive losses (InfoNCE, SupCon, etc.) can fail when dealing with biased data. Based on that, we derive a novel formulation of the supervised contrastive loss (epsilon-SupInfoNCE), providing more accurate control of the minimal distance between positive and negative samples. Furthermore, thanks to our theoretical framework, we also propose FairKL, a new debiasing regularization loss, that works well even with extremely biased data. We validate the proposed losses on standard vision datasets including CIFAR10, CIFAR100, and ImageNet, and we assess the debiasing capability of FairKL with epsilon-SupInfoNCE, reaching state-of-the-art performance on a number of biased datasets, including real instances of biases in the wild.  ( 2 min )

Quantifying the deviation of a probability distribution is challenging when the target distribution is defined by a density with an intractable normalizing constant. The kernel Stein discrepancy (KSD) was proposed to address this problem and has been applied to various tasks including diagnosing approximate MCMC samplers and goodness-of-fit testing for unnormalized statistical models. This article investigates a convergence control property of the diffusion kernel Stein discrepancy (DKSD), an instance of the KSD proposed by Barp et al. (2019). We extend the result of Gorham and Mackey (2017), which showed that the KSD controls the bounded-Lipschitz metric, to functions of polynomial growth. Specifically, we prove that the DKSD controls the integral probability metric defined by a class of pseudo-Lipschitz functions, a polynomial generalization of Lipschitz functions. We also provide practical sufficient conditions on the reproducing kernel for the stated property to hold. In particular, we show that the DKSD detects non-convergence in moments with an appropriate kernel.  ( 2 min )

We consider the problem of learning the structure underlying a Gaussian graphical model when the variables (or subsets thereof) are corrupted by independent noise. A recent line of work establishes that even for tree-structured graphical models, only partial structure recovery is possible and goes on to devise algorithms to identify the structure up to an (unavoidable) equivalence class of trees. We extend these results beyond trees and consider the model selection problem under noise for non tree-structured graphs, as tree graphs cannot model several real-world scenarios. Although unidentifiable, we show that, like the tree-structured graphs, the ambiguity is limited to an equivalence class. This limited ambiguity can help provide meaningful clustering information (even with noise), which is helpful in computer and social networks, protein-protein interaction networks, and power networks. Furthermore, we devise an algorithm based on a novel ancestral testing method for recovering the equivalence class. We complement these results with finite sample guarantees for the algorithm in the high-dimensional regime.  ( 2 min )

Selecting subsets of features that differentiate between two conditions is a key task in a broad range of scientific domains. In many applications, the features of interest form clusters with similar effects on the data at hand. To recover such clusters we develop DiSC, a data-driven approach for detecting groups of features that differentiate between conditions. For each condition, we construct a graph whose nodes correspond to the features and whose weights are functions of the similarity between them for that condition. We then apply a spectral approach to compute subsets of nodes whose connectivity differs significantly between the condition-specific feature graphs. On the theoretical front, we analyze our approach with a toy example based on the stochastic block model. We evaluate DiSC on a variety of datasets, including MNIST, hyperspectral imaging, simulated scRNA-seq and task fMRI, and demonstrate that DiSC uncovers features that better differentiate between conditions compared to competing methods.  ( 2 min )

Sharpness-Aware Minimization (SAM) is a highly effective regularization technique for improving the generalization of deep neural networks for various settings. However, the underlying working of SAM remains elusive because of various intriguing approximations in the theoretical characterizations. SAM intends to penalize a notion of sharpness of the model but implements a computationally efficient variant; moreover, a third notion of sharpness was used for proving generalization guarantees. The subtle differences in these notions of sharpness can indeed lead to significantly different empirical results. This paper rigorously nails down the exact sharpness notion that SAM regularizes and clarifies the underlying mechanism. We also show that the two steps of approximations in the original motivation of SAM individually lead to inaccurate local conclusions, but their combination accidentally reveals the correct effect, when full-batch gradients are applied. Furthermore, we also prove that the stochastic version of SAM in fact regularizes the third notion of sharpness mentioned above, which is most likely to be the preferred notion for practical performance. The key mechanism behind this intriguing phenomenon is the alignment between the gradient and the top eigenvector of Hessian when SAM is applied.  ( 2 min )

submitted by /u/Swisheater [link] [comments]  ( 47 min )

submitted by /u/abisknees [link] [comments]  ( 50 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 45 min )

I'm more and more enthusiast about AI. I see what StableDiffusion and NovelAI can do in arts, what all the text generation models do in language. Also, I'm developing a game so obvisouly AI is a subject. I wonder if it is possible to take a model from a site like Huggingface and trying to converse with it like we can in a game such as DugeonAI (but locally) ? I just have some notions with Python and I begin to understand some AI related terms, that's all. submitted by /u/VidarOdinsson [link] [comments]  ( 46 min )

submitted by /u/PuppetHere [link] [comments]  ( 47 min )

Hi Everyone, We have been build a Text To Financial Reports solution for our users using NLP. From simple text prompts you can generate your accounting and financial reports. We started with QuickBooks Online but wanted to see what types of software would people want to generate reports from - such as SalesForce / Hubspot / Stripe. If you want to check it out we just opened the waitlist today - https://twitter.com/TrevorJLee20/status/1591075946953859072 submitted by /u/Gsheetz20 [link] [comments]  ( 51 min )

submitted by /u/ai-lover [link] [comments]  ( 44 min )

Hey everyone! My name's Ryan and I write for the Blog over at AssemblyAI. We're an API platform for state-of-the-art AI models, and I'm excited to announce that next month AssemblyAI will be hosting our first-ever AI Hackathon! We have a lot of exciting speakers and talks (more details to come), but there will be over 50,000 USD in prizes, with a first-place grand prize of $35,000 + $3,500 in API credits! It's fully virtual and completely free to participate, so I encourage everyone to consider joining us! You should join if ... You're excited about using AI to build products that solve real-world problems! Prizes include ... First place - $35,000 + $3,500 in API credits Second place - $10,000 + $1,000 in API credits Third place - $5,000 + $500 in API credits $5,000 bonus for the best project built with AssemblyAI Additional Information We have a lot of great judges on board, stay tuned for an official announcement! You can register for the event here You can join the Discord here and/or follow us on Twitter to get updates You can find some FAQs here submitted by /u/SleekEagle [link] [comments]  ( 58 min )

submitted by /u/AubreBrumfield [link] [comments]  ( 47 min )

Are there any good / interesting Prediction models / results for the Soccer World Cup 2022 around? Only found the one from EA going around but that is not an AI prediction… happy for any links that you can share! Thanks! submitted by /u/OkkeVanZuurstok [link] [comments]  ( 47 min )

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AI News Anchors will soon be commonplace on news networks. Produce the fastest breaking news in the world. In the event of an emergency, such as severe weather, an AI Anchor can quickly deliver new video and release breaking news content faster than traditional broadcasters With AI Avatar, the script immediately becomes a news video, saving at least 10 to 20 minutes in breaking news time. Reduce cost when producing news videos. News can break anytime, so a news anchor must always be available, and the production crew needs to be ready at a moment’s notice. The broadcasting station must hire hiring more announcers, crew, and staff to support the 24-hour news cycle. However, if there is an AI Avatar, there is no need for the anchor and film crew. Never make a mistake in delivering a message. Anchors are people, too. Even if you are a well-trained and experienced Anchor, you may stumble at pronunciation or show surprise in unexpected situations. AI Avatar always delivers news with the correct pronunciation and the appropriate tone. *AI Avatar Tongue Twister Video submitted by /u/Newface_ai [link] [comments]  ( 49 min )

I am wanting to know if there is someone already down this path trying to make an AI do this. For an assignment I have to choose an area of interest in AI and then do a case study on it. The area I have chosen is AI and health. My idea is an adaptation of a specific program in Ready Player One. In basic you have a watch that you wear (like a fitbit) and it monitors your health. Say you get dehydrated it won't allow you to go on any games or social media until you have drunk water. Is there any program already like this or anyone experimenting in this area? submitted by /u/LyraBelaquaSilver [link] [comments]  ( 51 min )

Derivatives are one of the most fundamental concepts in calculus. They describe how changes in the variable inputs affect the function outputs. The objective of this article is to provide a high-level introduction to calculating derivatives in PyTorch for those who are new to the framework. PyTorch offers a convenient way to calculate derivatives for […] The post Calculating Derivatives in PyTorch appeared first on Machine Learning Mastery.  ( 20 min )

Hey Reddit, this is Nathan Lile with Stability AI. Emad and Team look forward to answering your questions in the upcoming AMA, scheduled for November 15 at 11:00 AM PST. As u/olaf_nij said, [Stability AI] has been one of the driving forces behind the open-source AI movement, being known for being key in the success of StableDiffusion and many other disruptive changes to the overall landscape of AI. This is the thread before the official AMA (referenced in the pinned announcement post) to collect questions before the official AMA if you can’t attend live. submitted by /u/nathan_thinks [link] [comments]  ( 55 min )

Hi everyone! I'm happy to announce a project I have been working on for quite some time now. teex is a Python library made for evaluating ML explanations. In particular, its main goal is to help evaluate the quality of predicted explanations against ground truth (like human annotations). This evaluation procedure is not as sophisticated as other approaches, but has advantages such as being model-agnostic and easy to interpret. Because data with ground truth explanations is somehow hard to come by, we have also made it a "hub" for datasets of this kind. Right now, we have support for image, word, decision rule and feature importance data. We plan to keep adding quality metrics to all data types and more dataset support in the sort term. I hope it is of use! I am also very keen to hear your feedback! Code: www.github.com/chus-chus/teex Docs: teex.readthedocs.io/en/latest/ submitted by /u/lettuceteseduce [link] [comments]  ( 59 min )

Hi everyone, I recently got a non-deep-learning-based agent (AOgmaNeo) to play Atari Pong on a Teensy 4.1 microcontroller, thought it would be cool to share it here. Previously, I ran agents on the Raspberry Pi 4 and then the Pi Zero 1. Now I am doing visioned-based reinforcement learning on a microcontroller! I believe this is the most efficient (compute-wise) Atari playing agent. It wins most of its games by a large margin. Not perfect, but pretty good I think given the constraints. It runs smoothly at 60fps, with both learning and inference enabled. It is less than 500KB in size. It achieves this efficiency through several interlocking elements: Online/incremental learning (non-i.i.d.) Local computation and no backpropagation Columnar sparse distributed representations (CSDRs) Exploiting the topology of the observation space Byte-sized synapses Here is the repository with more information and the code: https://github.com/222464/TeensyAtariPlayingAgent submitted by /u/CireNeikual [link] [comments]  ( 56 min )

Amazon Web Services just announced this two news related to AWS SageMaker: ​ SageMaker JumpStart now provides Stable Diffusion and Bloom models: Starting today, Amazon SageMaker JumpStart provides two additional state-of-the-art foundational models, Bloom for text generation and Stable Diffusion for image generation. Customers can access newly added models through the SageMaker Python SDK APIs and SageMaker JumpStart UI inside SageMaker Studio. Bloom can be used to complete the sentence or generate long paragraphs for 46 different languages, and generated text often appears indistinguishable from the human-written text. This release includes Bloom-560m, Bloom-1b1, and Bloom-1b7 models for text generation. Stable diffusion generates images from given text, and is known for its rea…  ( 59 min )

Hey forks. We just release a complete open-source solution for accelerating Stable Diffusion pretraining and fine-tuning. It help reduce the pretraining cost by 6.5 times, and the hardware cost of fine-tuning by 7 times, while simultaneously speeding up the processes. Open source address: https://github.com/hpcaitech/ColossalAI/tree/main/examples/images/diffusion Our codebase for the diffusion models builds heavily on OpenAI's ADM codebase , lucidrains, Stable Diffusion, Lightning and Hugging Face. Thanks for open-sourcing! Glad to know your thoughts about our work! submitted by /u/HPCAI-Tech [link] [comments]  ( 57 min )

Hey everyone! My name's Ryan and I write for the Blog over at AssemblyAI. You might've seen some of my posts on here about things like Diffusion Models and Imagen! I'm excited to announce that next month AssemblyAI will be hosting our first-ever AI Hackathon! We have a lot of exciting speakers and talks (more details to come), but there will be over 50,000 USD in prizes, with a first-place grand prize of $35,000 + $3,500 in API credits! It's fully virtual and completely free to participate, so I encourage everyone to consider joining us! You should join if ... You're excited about using AI to build products that solve real-world problems! Prizes include ... First place - $35,000 + $3,500 in API credits Second place - $10,000 + $1,000 in API credits Third place - $5,000 + $500 in API credits $5,000 bonus for the best project built with AssemblyAI Additional Information We have a lot of great judges on board, stay tuned for an official announcement! You can register for the event here You can join the Discord here and/or follow us on Twitter to get updates You can find some FAQs here submitted by /u/SleekEagle [link] [comments]  ( 66 min )

Hi, We all have heard about the layoffs in tech companies. How about ML/AI jobs? Do you observe a decrease in the number of job openings etc? I am a bit confused because there are so many AI startups now announcing getting funded. Someone in the industry who has more experience can maybe shed some light? submitted by /u/diffusion-xgb [link] [comments]  ( 67 min )

I have been googling for a while. If you know any, please comment below. It doesn't need to be exact Faster RCNN in Detectron2. Any derivative of Faster RCNN is okay. submitted by /u/KingsmanVince [link] [comments]  ( 54 min )

Hey , In Timm's implementation of stochastic depth (https://github.com/rwightman/pytorch-image-models/blob/main/timm/models/layers/drop.py) the tensor is scaled by the probability of keeping the actual block. I didn't understand why he does so specially that this is not mentioned in the paper. Can anyone explain this to me please ? Thanks ! The code : def drop_path(x, drop_prob: float = 0., training: bool = False, scale_by_keep: bool = True): keep_prob = 1 - drop_prob shape = (x.shape[0],) + (1,) * (x.ndim - 1) random_tensor = x.new_empty(shape).bernoulli_(keep_prob) if keep_prob > 0.0 and scale_by_keep: random_tensor.div_(keep_prob) return x * random_tensor submitted by /u/MichelMED10 [link] [comments]  ( 59 min )

I am trying to research well working methods for regulraization in small-data NLP finetuning scenarios, specifically for regression. Coming from computer vision background, it appears to me that no established method has emerged that works well across tasks and it is really hard to combat stark overfitting on small data tasks. I am specifically looking for methods that are special to NLP finetuning and go beyond classical DL regularization techniques like dropout or weight decay. Happy for any pointers! submitted by /u/ichiichisan [link] [comments]  ( 58 min )

I am working on a Computer Vision project and I have a question about using MediaPipe in production: does running MediaPipe include sending API calls to Google servers? I'm developing my (first) consumer app and I'm worried there will be issues if there are many concurrent calls. submitted by /u/BackgroundPass2082 [link] [comments]  ( 53 min )

The incredible Syl Taylor just released two new workshops related to AWS Graviton (the processors developed by the company with the best price/performance combination) and Machine Learning: ​ An example solution for running ML workloads on AWS Graviton using AWS Nitro Enclaves: Customers from diverse industries collaborate with other parties to exchange sensitive information, such as code and data. For artificial intelligence (AI), machine learning (ML), and data science (DS) practitioners, the ability to experiment with externally-provided algorithms, models, and datasets is key to improving business outcomes. We will demonstrate how you can share your sensitive AI/ML files in a manner that safeguards application and data confidentiality. To present you with a familiar environment, we included the ability to do seamless data transfers to accelerate ML and DS workloads, as well as run software downloaded at runtime to process that data conveniently. AWS Nitro Enclaves enables customers to create isolated compute environments to maintain the confidentiality of applications and data. The sample provided uses Nitro enclaves to enable sensitive file sharing and usage for ML workloads. ​ How to run ML inference on EC2 (Graviton | arm64) using Apache TVM (TVMC): This sample provides steps to deploy Apache TVM (TVMC Python) on a Graviton (arm64) EC2 instance to do ML inference using a ResNet50 model (ONNX). If you want to get the last news/ use cases/articles/videos and more related to AWS Graviton, feel free to subscribe to our weekly newsletter here. submitted by /u/marcosluis2186 [link] [comments]  ( 57 min )

submitted by /u/hardmaru [link] [comments]  ( 60 min )

To make machine learning (ML) more accessible, Amazon launched Amazon SageMaker Studio Lab at AWS re:Invent 2021. Today, tens of thousands of customers use it every day to learn and experiment with ML for free. We made it simple to get started with just an email address, without the need for installs, setups, credit cards, […]  ( 6 min )

I have 2 questions: What's the intuition behind using a discount factor in the Eligibility trace calculation? Why would a partial derivative of the approx value function find its way into a state's eligibility trace?[The indicator function for tabular methods with Linear function approx. makes absolute sense, but I can't wrap my head around the reason for partial derivative in other cases] It would be really helpful if someone could tell the intuition or logic behind it. Source : Sutton & Barto submitted by /u/anam_812 [link] [comments]  ( 51 min )

Does any one have suggestions to tutorials of Isaac Gym? I went through the official documentation, but it's not comprehensive enough. Or any one have code implementation of a custom project? submitted by /u/anointedninja [link] [comments]  ( 51 min )

This is a demonstration of my WIP - Applying reinforcement learning techniques combined with genetic algorithms to self-learning video game agents, in particular, it is an implementation of the NEAT (Neuro Evolution of Augmenting Topologies) algorithm, trained on my own instance of the classic Snake game. GitHub repo ​ https://reddit.com/link/ys6tnp/video/lzrmr5jquaz91/player submitted by /u/hahaMemesFunny [link] [comments]  ( 48 min )

I am currently doing a side project where I am tryint to build a good Tic-Tac-Toe AI. I want the agent to learn using only experiences of self-play. I have a problem with the self-play definition in this case. What is self-play in this case exactly? I have tried implementing two agents that have their own networks and update their weights independantly of each other. This has yielded decent results. In a next step i wanted to go full on sel-play. Here i struggeled to undetstand how self-play should be implemeneted in a game where one players always goes first and the other second. From what I have read self-play should be a "sharing" of policies between the 2 competing agents. But I don't understand how you can copy the policy of the X-Agent onto the O-Agent and expect the O-Agent to make reasonable deciscions. How would you design this self-play problem? Should there only be one network in self-play? Should both "agents" update the network simultaniously? Should they alternate in updating this shared network? All in all, my best results came from the brute force approach where I trained 2 independant agents at the same time. Whenever i tried to employ self-play the results were a lot worse. I think this is because I am lacking a logical definition of what self-play is supposed to be. submitted by /u/Thresh_will_q_you [link] [comments]  ( 53 min )

There are many implementations for A2C, TRPO or PPO that include observation normalization to make the inputs to neural network not that varying, otherwise, it will degrade the performance to some extent. This problem is also observable for SAC or TD3, since the observation is emitted by the environment. However, they don't make it as default choice, and seems not suffer that much? Can anyone help me to understand the necessity of the observation normalization? And when to apply it to different algorithms? submitted by /u/OutOfCharm [link] [comments]  ( 50 min )

Hi guys, I was wondering if there is anyway of learning/estimating the transition probabilities of a POMDP over time? Let's say initially you are not given the transition model, but it takes actions based on some model, my goal being to estimate or learn this model. Any help on this will be much appreciated. Thanks! submitted by /u/E-Cockroach [link] [comments]  ( 56 min )

Hi everyone! I'm taking a course where i am using ml and after hours and hours of tuning my rainbow dqn agent IT FINALLY WORKS. But now i need to train it :(:( I would like to know if anyone knew about cloud computing free trials where you have access to gpus? The google cloud and AWS trials dont.. submitted by /u/Secret-Toe-8185 [link] [comments]  ( 52 min )

I'm trying to host a cnn model using python(flask), and if it's possible I'm going to pay for the cheapest option. So here are some of the prices: 8 USD -> 1 GB of RAM, CPU 2 Cores 12 USD -> 2 GB of RAM, CPU 2 Cores 18 USD -> 3 GB of RAM, CPU 3 Cores There are still other options but they are just way of out of my budget (I'm building this for my graduation project). How much of RAM should I chose if I'm building a classification app with input size 224 x 224 pixel of image? Thanks before. submitted by /u/Plus-Philosopher-101 [link] [comments]  ( 45 min )

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Disentanglement of constituent factors of a sensory signal is central to perception and cognition and hence is a critical task for future artificial intelligence systems. In this paper, we present a compute engine capable of efficiently factorizing holographic perceptual representations by exploiting the computation-in-superposition capability of brain-inspired hyperdimensional computing and the intrinsic stochasticity associated with analog in-memory computing based on nanoscale memristive devices. Such an iterative in-memory factorizer is shown to solve at least five orders of magnitude larger problems that cannot be solved otherwise, while also significantly lowering the computational time and space complexity. We present a large-scale experimental demonstration of the factorizer by employing two in-memory compute chips based on phase-change memristive devices. The dominant matrix-vector multiply operations are executed at O(1) thus reducing the computational time complexity to merely the number of iterations. Moreover, we experimentally demonstrate the ability to factorize visual perceptual representations reliably and efficiently.  ( 2 min )

A classical result in learning theory shows the equivalence of PAC learnability of binary hypothesis classes and the finiteness of VC dimension. Extending this to the multiclass setting was an open problem, which was settled in a recent breakthrough result characterizing multiclass PAC learnability via the DS dimension introduced earlier by Daniely and Shalev-Shwartz. In this work we consider list PAC learning where the goal is to output a list of $k$ predictions. List learning algorithms have been developed in several settings before and indeed, list learning played an important role in the recent characterization of multiclass learnability. In this work we ask: when is it possible to $k$-list learn a hypothesis class? We completely characterize $k$-list learnability in terms of a generalization of DS dimension that we call the $k$-DS dimension. Generalizing the recent characterization of multiclass learnability, we show that a hypothesis class is $k$-list learnable if and only if the $k$-DS dimension is finite.  ( 2 min )

Audio Spectrogram Transformer models rule the field of Audio Tagging, outrunning previously dominating Convolutional Neural Networks (CNNs). Their superiority is based on the ability to scale up and exploit large-scale datasets such as AudioSet. However, Transformers are demanding in terms of model size and computational requirements compared to CNNs. We propose a training procedure for efficient CNNs based on offline Knowledge Distillation (KD) from high-performing yet complex transformers. The proposed training schema and the efficient CNN design based on MobileNetV3 results in models outperforming previous solutions in terms of parameter and computational efficiency and prediction performance. We provide models of different complexity levels, scaling from low-complexity models up to a new state-of-the-art performance of .483 mAP on AudioSet. Source Code available at: https://github.com/fschmid56/EfficientAT  ( 2 min )

Email threat is a serious issue for enterprise security. The threat can be in various malicious forms, such as phishing, fraud, blackmail and malvertisement. The traditional anti-spam gateway often maintains a greylist to filter out unexpected emails based on suspicious vocabularies present in the email's subject and contents. However, this type of signature-based approach cannot effectively discover novel and unknown suspicious emails that utilize various evolving malicious payloads. To address the problem, in this paper, we present Holmes, an efficient and lightweight semantic based engine for anomalous email detection. Holmes can convert each email event log into a sentence through word embedding and then identify abnormalities that deviate from a historical baseline based on those translated sentences. We have evaluated the performance of Holmes in a real-world enterprise environment, where around 5,000 emails are sent/received each day. In our experiments, Holmes shows a high capability to detect email threats, especially those that cannot be handled by the enterprise anti-spam gateway. It is also demonstrated through our experiment that Holmes can discover more concealed malicious emails that are immune from several commercial detection tools.  ( 3 min )

In this paper, we study the tradeoffs between the time speedup and the round complexity in the collaborative learning model with non-IID data, where multiple agents interact with possibly different environments and they want to learn an objective in the aggregated environment. We use a basic problem in bandit theory called best arm identification in multi-armed bandits as a vehicle to deliver the following conceptual message: collaborative learning on non-IID data is provably more difficult than that on IID data. In particular, we show the following: 1) Learning time speedup in the non-IID data setting can be much smaller than $1$ (that is, a slowdown). When the number of rounds $R = O(1)$, we will need at least a polynomial number of agents (in terms of the number of arms) to achieve a speedup $\tilde{\Omega}(1)$. This is in stark contrast to the IID data setting, where the speedup is always $\tilde{\Omega}(1)$ regardless of $R$ and the number of agents $K$. 2) Local adaptivity of the agents cannot help much in the non-IID data setting. This is in contrast with the IID data setting, in which to achieve the same speedup, the best non-adaptive algorithm requires a significantly larger number of rounds than the best adaptive algorithm.

This paper presents miCSE, a mutual information-based Contrastive learning framework that significantly advances the state-of-the-art in few-shot sentence embedding. The proposed approach imposes alignment between the attention pattern of different views during contrastive learning. Learning sentence embeddings with miCSE entails enforcing the syntactic consistency across augmented views for every single sentence, making contrastive self-supervised learning more sample efficient. As a result, the proposed approach shows strong performance in the few-shot learning domain. While it achieves superior results compared to state-of-the-art methods on multiple benchmarks in few-shot learning, it is comparable in the full-shot scenario. The proposed approach is conceptually simple, easy to implement and optimize, yet empirically powerful. This study opens up avenues for efficient self-supervised learning methods that are more robust than current contrastive methods for sentence embedding.

The US Census Bureau will deliberately corrupt data sets derived from the 2020 US Census in an effort to maintain privacy, suggesting a painful trade-off between the privacy of respondents and the precision of economic analysis. To investigate whether this trade-off is inevitable, we formulate a semiparametric model of causal inference with high dimensional corrupted data. We propose a procedure for data cleaning, estimation, and inference with data cleaning-adjusted confidence intervals. We prove consistency, Gaussian approximation, and semiparametric efficiency by finite sample arguments, with a rate of $n^{-1/2}$ for semiparametric estimands that degrades gracefully for nonparametric estimands. Our key assumption is that the true covariates are approximately low rank, which we interpret as approximate repeated measurements and validate in the Census. In our analysis, we provide nonasymptotic theoretical contributions to matrix completion, statistical learning, and semiparametric statistics. Calibrated simulations verify the coverage of our data cleaning-adjusted confidence intervals and demonstrate the relevance of our results for 2020 Census data.  ( 2 min )

Current methods for image-to-image translation produce compelling results, however, the applied transformation is difficult to control, since existing mechanisms are often limited and non-intuitive. We propose ParGAN, a generalization of the cycle-consistent GAN framework to learn image transformations with simple and intuitive controls. The proposed generator takes as input both an image and a parametrization of the transformation. We train this network to preserve the content of the input image while ensuring that the result is consistent with the given parametrization. Our approach does not require paired data and can learn transformations across several tasks and datasets. We show how, with disjoint image domains with no annotated parametrization, our framework can create smooth interpolations as well as learn multiple transformations simultaneously.  ( 2 min )

Model based reinforcement learning (MBRL) uses an imperfect model of the world to imagine trajectories of future states and plan the best actions that maximize a given reward. These trajectories are imperfect and MBRL attempts to overcome this by relying on model predictive control (MPC) to continuously re-imagine trajectories from scratch. Such re-generation of imagined trajectories carries the major computational cost and increasing complexity in tasks with longer receding horizon. We investigate how far in the future the imagined trajectories can be relied upon while still maintaining acceptable reward. After taking each action, information becomes available about its immediate effect and its impact on outcomes expected of future actions. Hereby, we propose four methods for deciding whether to trust and act upon imagined trajectories: i) looking at recent errors with respect to expectations, ii) comparing the confidence in an action imagined against its execution, iii) observing the deviation in projected future states iv) observing the deviation in projected future rewards. An experiment analyzing the effects of acting upon imagination shows that our methods reduce computation by at least 20\% and up to 80\%, depending on the environment, while retaining acceptable reward.

We propose Characteristic-Neural Ordinary Differential Equations (C-NODEs), a framework for extending Neural Ordinary Differential Equations (NODEs) beyond ODEs. While NODEs model the evolution of a latent variables as the solution to an ODE, C-NODE models the evolution of the latent variables as the solution of a family of first-order quasi-linear partial differential equations (PDEs) along curves on which the PDEs reduce to ODEs, referred to as characteristic curves. This in turn allows the application of the standard frameworks for solving ODEs, namely the adjoint method. Learning optimal characteristic curves for given tasks improves the performance and computational efficiency, compared to state of the art NODE models. We prove that the C-NODE framework extends the classical NODE on classification tasks by demonstrating explicit C-NODE representable functions not expressible by NODEs. Additionally, we present C-NODE-based continuous normalizing flows, which describe the density evolution of latent variables along multiple dimensions. Empirical results demonstrate the improvements provided by the proposed method for classification and density estimation on CIFAR-10, SVHN, and MNIST datasets under a similar computational budget as the existing NODE methods. The results also provide empirical evidence that the learned curves improve the efficiency of the system through a lower number of parameters and function evaluations compared with baselines.

Agent-based modeling (ABM) is a well-established paradigm for simulating complex systems via interactions between constituent entities. Machine learning (ML) refers to approaches whereby statistical algorithms 'learn' from data on their own, without imposing a priori theories of system behavior. Biological systems -- from molecules, to cells, to entire organisms -- consist of vast numbers of entities, governed by complex webs of interactions that span many spatiotemporal scales and exhibit nonlinearity, stochasticity and intricate coupling between entities. The macroscopic properties and collective dynamics of such systems are difficult to capture via continuum modelling and mean-field formalisms. ABM takes a 'bottom-up' approach that obviates these difficulties by enabling one to easily propose and test a set of well-defined 'rules' to be applied to the individual entities (agents) in a system. Evaluating a system and propagating its state over discrete time-steps effectively simulates the system, allowing observables to be computed and system properties to be analyzed. Because the rules that govern an ABM can be difficult to abstract and formulate from experimental data, there is an opportunity to use ML to help infer optimal, system-specific ABM rules. Once such rule-sets are devised, ABM calculations can generate a wealth of data, and ML can be applied there too -- e.g., to probe statistical measures that meaningfully describe a system's stochastic properties. As an example of synergy in the other direction (from ABM to ML), ABM simulations can generate realistic datasets for training ML algorithms (e.g., for regularization, to mitigate overfitting). In these ways, one can envision various synergistic ABM$\rightleftharpoons$ML loops. This review summarizes how ABM and ML have been integrated in contexts that span spatiotemporal scales, from cellular to population-level epidemiology.

Fairness-aware mining of massive data streams is a growing and challenging concern in the contemporary domain of machine learning. Many stream learning algorithms are used to replace humans at critical decision-making points e.g., hiring staff, assessing credit risk, etc. This calls for handling massive incoming information with minimum response delay while ensuring fair and high quality decisions. Recent discrimination-aware learning methods are optimized based on overall accuracy. However, the overall accuracy is biased in favor of the majority class; therefore, state-of-the-art methods mainly diminish discrimination by partially or completely ignoring the minority class. In this context, we propose a novel adaptation of Na\"ive Bayes to mitigate discrimination embedded in the streams while maintaining high predictive performance for both the majority and minority classes. Our proposed algorithm is simple, fast, and attains multi-objective optimization goals. To handle class imbalance and concept drifts, a dynamic instance weighting module is proposed, which gives more importance to recent instances and less importance to obsolete instances based on their membership in minority or majority class. We conducted experiments on a range of streaming and static datasets and deduced that our proposed methodology outperforms existing state-of-the-art fairness-aware methods in terms of both discrimination score and balanced accuracy.

The Transformer is an extremely powerful and prominent deep learning architecture. In this work, we challenge the commonly held belief in deep learning that going deeper is better, and show an alternative design approach that is building wider attention Transformers. We demonstrate that wide single layer Transformer models can compete with or outperform deeper ones in a variety of Natural Language Processing (NLP) tasks when both are trained from scratch. The impact of changing the model aspect ratio on Transformers is then studied systematically. This ratio balances the number of layers and the number of attention heads per layer while keeping the total number of attention heads and all other hyperparameters constant. On average, across 4 NLP tasks and 10 attention types, single layer wide models perform 0.3% better than their deep counterparts. We show an in-depth evaluation and demonstrate how wide models require a far smaller memory footprint and can run faster on commodity hardware, in addition, these wider models are also more interpretable. For example, a single layer Transformer on the IMDb byte level text classification has 3.1x faster inference latency on a CPU than its equally accurate deeper counterpart, and is half the size. We therefore put forward wider and shallower models as a viable and desirable alternative for small models on NLP tasks, and as an important area of research for domains beyond this.

Governments, industry, and academia have undertaken efforts to identify and mitigate harms in ML-driven systems, with a particular focus on social and ethical risks of ML components in complex sociotechnical systems. However, existing approaches are largely disjointed, ad-hoc and of unknown effectiveness. Systems safety engineering is a well established discipline with a track record of identifying and managing risks in many complex sociotechnical domains. We adopt the natural hypothesis that tools from this domain could serve to enhance risk analyses of ML in its context of use. To test this hypothesis, we apply a "best of breed" systems safety analysis, Systems Theoretic Process Analysis (STPA), to a specific high-consequence system with an important ML-driven component, namely the Prescription Drug Monitoring Programs (PDMPs) operated by many US States, several of which rely on an ML-derived risk score. We focus in particular on how this analysis can extend to identifying social and ethical risks and developing concrete design-level controls to mitigate them.

Neural density estimators have proven remarkably powerful in performing efficient simulation-based Bayesian inference in various research domains. In particular, the BayesFlow framework uses a two-step approach to enable amortized parameter estimation in settings where the likelihood function is implicitly defined by a simulation program. But how faithful is such inference when simulations are poor representations of reality? In this paper, we conceptualize the types of model misspecification arising in simulation-based inference and systematically investigate the performance of the BayesFlow framework under these misspecifications. We propose an augmented optimization objective which imposes a probabilistic structure on the latent data space and utilize maximum mean discrepancy (MMD) to detect potentially catastrophic misspecifications during inference undermining the validity of the obtained results. We verify our detection criterion on a number of artificial and realistic misspecifications, ranging from toy conjugate models to complex models of decision making and disease outbreak dynamics applied to real data. Further, we show that posterior inference errors increase as a function of the distance between the true data-generating distribution and the typical set of simulations in the latent summary space. Thus, we demonstrate the dual utility of MMD as a method for detecting model misspecification and as a proxy for verifying the faithfulness of amortized Bayesian inference.

We focus on bridging domain discrepancy in lane detection among different scenarios to greatly reduce extra annotation and re-training costs for autonomous driving. Critical factors hinder the performance improvement of cross-domain lane detection that conventional methods only focus on pixel-wise loss while ignoring shape and position priors of lanes. To address the issue, we propose the Multi-level Domain Adaptation (MLDA) framework, a new perspective to handle cross-domain lane detection at three complementary semantic levels of pixel, instance and category. Specifically, at pixel level, we propose to apply cross-class confidence constraints in self-training to tackle the imbalanced confidence distribution of lane and background. At instance level, we go beyond pixels to treat segmented lanes as instances and facilitate discriminative features in target domain with triplet learning, which effectively rebuilds the semantic context of lanes and contributes to alleviating the feature confusion. At category level, we propose an adaptive inter-domain embedding module to utilize the position prior of lanes during adaptation. In two challenging datasets, ie TuSimple and CULane, our approach improves lane detection performance by a large margin with gains of 8.8% on accuracy and 7.4% on F1-score respectively, compared with state-of-the-art domain adaptation algorithms.

We study stochastic optimization algorithms for constrained nonconvex stochastic optimization problems with Markovian data. In particular, we focus on the case when the transition kernel of the Markov chain is state-dependent. Such stochastic optimization problems arise in various machine learning problems including strategic classification and reinforcement learning. For this problem, we study both projection-based and projection-free algorithms. In both cases, we establish that the number of calls to the stochastic first-order oracle to obtain an appropriately defined $\epsilon$-stationary point is of the order $\mathcal{O}(1/\epsilon^{2.5})$. In the projection-free setting we additionally establish that the number of calls to the linear minimization oracle is of order $\mathcal{O}(1/\epsilon^{5.5})$. We also empirically demonstrate the performance of our algorithm on the problem of strategic classification with neural networks.

In this paper we demonstrate that reservoir computing can be used to learn the dynamics of the shallow-water equations. In particular, while most previous applications of reservoir computing have required training on a particular trajectory to further predict the evolution along that trajectory alone, we show the capability of reservoir computing to predict trajectories of the shallow-water equations with initial conditions not seen in the training process. However, in this setting, we find that the performance of the network deteriorates for initial conditions with ambient conditions (such as total water height and average velocity) that are different from those in the training dataset. To circumvent this deficiency, we introduce a transfer learning approach wherein a small additional training step with the relevant ambient conditions is used to improve the predictions.

Geosteering of wells requires fast interpretation of geophysical logs, which is a non-unique inverse problem. Current work presents a proof-of-concept approach to multi-modal probabilistic inversion of logs using a single evaluation of an artificial deep neural network (DNN). A mixture density DNN (MDN) is trained using the "multiple-trajectory-prediction" (MTP) loss functions, which avoids mode collapse typical for traditional MDNs, and allows multi-modal prediction ahead of data. The proposed approach is verified on the real-time stratigraphic inversion of gamma-ray logs. The multi-modal predictor outputs several likely inverse solutions/predictions, providing more accurate and realistic solutions than a deterministic regression using a DNN. For these likely stratigraphic curves, the model simultaneously predicts their probabilities, which are implicitly learned from the training geological data. The stratigraphy predictions and their probabilities obtained in milliseconds from the MDN can enable better real-time decisions under geological uncertainties.

Decision-Focused Learning (DFL) is a paradigm for tailoring a predictive model to a downstream optimization task that uses its predictions in order to perform better on that specific task. The main technical challenge associated with DFL is that it requires being able to differentiate through the optimization problem, which is difficult due to discontinuous solutions and other challenges. Past work has largely gotten around this issue by handcrafting task-specific surrogates to the original optimization problem that provide informative gradients when differentiated through. However, the need to handcraft surrogates for each new task limits the usability of DFL. In addition, there are often no guarantees about the convexity of the resulting surrogates and, as a result, training a predictive model using them can lead to inferior local optima. In this paper, we do away with surrogates altogether and instead learn loss functions that capture task-specific information. To the best of our knowledge, ours is the first approach that entirely replaces the optimization component of decision-focused learning with a loss that is automatically learned. Our approach (a) only requires access to a black-box oracle that can solve the optimization problem and is thus generalizable, and (b) can be convex by construction and so can be easily optimized over. We evaluate our approach on three resource allocation problems from the literature and find that our approach outperforms learning without taking into account task structure in all three domains, and even hand-crafted surrogates from the literature.

We consider stochastic gradient descents on the space of large symmetric matrices of suitable functions that are invariant under permuting the rows and columns using the same permutation. We establish deterministic limits of these random curves as the dimensions of the matrices go to infinity while the entries remain bounded. Under a "small noise" assumption the limit is shown to be the gradient flow of functions on graphons whose existence was established in arXiv:2111.09459. We also consider limits of stochastic gradient descents with added properly scaled reflected Brownian noise. The limiting curve of graphons is characterized by a family of stochastic differential equations with reflections and can be thought of as an extension of the classical McKean-Vlasov limit for interacting diffusions. The proofs introduce a family of infinite-dimensional exchangeable arrays of reflected diffusions and a novel notion of propagation of chaos for large matrices of interacting diffusions.

When the unknown regression function of a single variable is known to have derivatives up to the $(\gamma+1)$th order bounded in absolute values by a common constant everywhere or a.e., the classical minimax optimal rate of the mean integrated squared error (MISE) $\left(\frac{1}{n}\right)^{\frac{2\gamma+2}{2\gamma+3}}$ leads one to conclude that, as $\gamma$ gets larger, the rate gets closer to $\frac{1}{n}$. This paper shows that: (i) if $n\leq\left(\gamma+1\right)^{2\gamma+3}$, the minimax optimal MISE rate is roughly $\frac{\log n}{n}$ and the optimal degree of smoothness to exploit is roughly $\left\lceil \frac{\log n}{2}\right\rceil -2$; (ii) if $n>\left(\gamma+1\right)^{2\gamma+3}$, the minimax optimal MISE rate is $\left(\frac{1}{n}\right)^{\frac{2\gamma+2}{2\gamma+3}}$ and the optimal degree of smoothness to exploit is $\gamma+1$. The building blocks of our minimax optimality results are a set of metric entropy bounds we develop in this paper for smooth function classes. Some of our bounds are original, and some of them improve and/or generalize the ones in the literature. Our metric entropy bounds allow us to explore the minimax optimal MISE rates associated with some commonly seen smoothness classes and also several non-standard smoothness classes, and can also be of independent interest even if one does not care about the nonparametric regressions.

We study two-layer neural networks whose domain and range are Banach spaces with separable preduals. In addition, we assume that the image space is equipped with a partial order, i.e. it is a Riesz space. As the nonlinearity we choose the lattice operation of taking the positive part; in case of $\mathbb R^d$-valued neural networks this corresponds to the ReLU activation function. We prove inverse and direct approximation theorems with Monte-Carlo rates for a certain class of functions, extending existing results for the finite-dimensional case. In the second part of the paper, we study, from the regularisation theory viewpoint, the problem of finding optimal representations of such functions via signed measures on a latent space from a finite number of noisy observations. We discuss regularity conditions known as source conditions and obtain convergence rates in a Bregman distance for the representing measure in the regime when both the noise level goes to zero and the number of samples goes to infinity at appropriate rates.

We study the smooth minimax optimization problem $\min_{\bf x}\max_{\bf y} f({\bf x},{\bf y})$, where $f$ is $\ell$-smooth, strongly-concave in ${\bf y}$ but possibly nonconvex in ${\bf x}$. Most of existing works focus on finding the first-order stationary points of the function $f({\bf x},{\bf y})$ or its primal function $P({\bf x})\triangleq \max_{\bf y} f({\bf x},{\bf y})$, but few of them focus on achieving second-order stationary points. In this paper, we propose a novel approach for minimax optimization, called Minimax Cubic Newton (MCN), which could find an $\big(\varepsilon,\kappa^{1.5}\sqrt{\rho\varepsilon}\,\big)$-second-order stationary point of $P({\bf x})$ with calling ${\mathcal O}\big(\kappa^{1.5}\sqrt{\rho}\varepsilon^{-1.5}\big)$ times of second-order oracles and $\tilde{\mathcal O}\big(\kappa^{2}\sqrt{\rho}\varepsilon^{-1.5}\big)$ times of first-order oracles, where $\kappa$ is the condition number and $\rho$ is the Lipschitz continuous constant for the Hessian of $f({\bf x},{\bf y})$. In addition, we propose an inexact variant of MCN for high-dimensional problems to avoid calling expensive second-order oracles. Instead, our method solves the cubic sub-problem inexactly via gradient descent and matrix Chebyshev expansion. This strategy still obtains the desired approximate second-order stationary point with high probability but only requires $\tilde{\mathcal O}\big(\kappa^{1.5}\ell\varepsilon^{-2}\big)$ Hessian-vector oracle calls and $\tilde{\mathcal O}\big(\kappa^{2}\sqrt{\rho}\varepsilon^{-1.5}\big)$ first-order oracle calls. To the best of our knowledge, this is the first work that considers the non-asymptotic convergence behavior of finding second-order stationary points for minimax problems without the convex-concave assumptions.

We take a systematic look at the problem of storing whole files in a cache with limited capacity in the context of optimistic learning, where the caching policy has access to a prediction oracle (provided by, e.g., a Neural Network). The successive file requests are assumed to be generated by an adversary, and no assumption is made on the accuracy of the oracle. In this setting, we provide a universal lower bound for prediction-assisted online caching and proceed to design a suite of policies with a range of performance-complexity trade-offs. All proposed policies offer sublinear regret bounds commensurate with the accuracy of the oracle. Our results substantially improve upon all recently-proposed online caching policies, which, being unable to exploit the oracle predictions, offer only $O(\sqrt{T})$ regret. In this pursuit, we design, to the best of our knowledge, the first comprehensive optimistic Follow-the-Perturbed leader policy, which generalizes beyond the caching problem. We also study the problem of caching files with different sizes and the bipartite network caching problem. Finally, we evaluate the efficacy of the proposed policies through extensive numerical experiments using real-world traces.

Due to the increasing trend of performing spamming activities (e.g., Web spam, deceptive reviews, fake followers, etc.) on various online platforms to gain undeserved benefits, spam detection has emerged as a hot research issue. Previous attempts to combat spam mainly employ features related to metadata, user behaviors, or relational ties. These works have made considerable progress in understanding and filtering spamming campaigns. However, this problem remains far from fully solved. Almost all the proposed features focus on a limited number of observed attributes or explainable phenomena, making it difficult for existing methods to achieve further improvement. To broaden the vision about solving the spam problem and address long-standing challenges (class imbalance and graph incompleteness) in the spam detection area, we propose a new attempt of utilizing signed latent factors to filter fraudulent activities. The spam-contaminated relational datasets of multiple online applications in this scenario are interpreted by the unified signed network. Two competitive and highly dissimilar algorithms of latent factors mining (LFM) models are designed based on multi-relational likelihoods estimation (LFM-MRLE) and signed pairwise ranking (LFM-SPR), respectively. We then explore how to apply the mined latent factors to spam detection tasks. Experiments on real-world datasets of different kinds of Web applications (social media and Web forum) indicate that LFM models outperform state-of-the-art baselines in detecting spamming activities. By specifically manipulating experimental data, the effectiveness of our methods in dealing with incomplete and imbalanced challenges is valida

Vision Transformer (ViT) has emerged as a competitive alternative to convolutional neural networks for various computer vision applications. Specifically, ViT multi-head attention layers make it possible to embed information globally across the overall image. Nevertheless, computing and storing such attention matrices incurs a quadratic cost dependency on the number of patches, limiting its achievable efficiency and scalability and prohibiting more extensive real-world ViT applications on resource-constrained devices. Sparse attention has been shown to be a promising direction for improving hardware acceleration efficiency for NLP models. However, a systematic counterpart approach is still missing for accelerating ViT models. To close the above gap, we propose a first-of-its-kind algorithm-hardware codesigned framework, dubbed ViTALiTy, for boosting the inference efficiency of ViTs. Unlike sparsity-based Transformer accelerators for NLP, ViTALiTy unifies both low-rank and sparse components of the attention in ViTs. At the algorithm level, we approximate the dot-product softmax operation via first-order Taylor attention with row-mean centering as the low-rank component to linearize the cost of attention blocks and further boost the accuracy by incorporating a sparsity-based regularization. At the hardware level, we develop a dedicated accelerator to better leverage the resulting workload and pipeline from ViTALiTy's linear Taylor attention which requires the execution of only the low-rank component, to further boost the hardware efficiency. Extensive experiments and ablation studies validate that ViTALiTy offers boosted end-to-end efficiency (e.g., $3\times$ faster and $3\times$ energy-efficient) under comparable accuracy, with respect to the state-of-the-art solution.

Recent years have witnessed great success in handling graph-related tasks with Graph Neural Networks (GNNs). Despite their great academic success, Multi-Layer Perceptrons (MLPs) remain the primary workhorse for practical industrial applications. One reason for this academic-industrial gap is the neighborhood-fetching latency incurred by data dependency in GNNs, which make it hard to deploy for latency-sensitive applications that require fast inference. Conversely, without involving any feature aggregation, MLPs have no data dependency and infer much faster than GNNs, but their performance is less competitive. Motivated by these complementary strengths and weaknesses, we propose a Graph Self-Distillation on Neighborhood (GSDN) framework to reduce the gap between GNNs and MLPs. Specifically, the GSDN framework is based purely on MLPs, where structural information is only implicitly used as prior to guide knowledge self-distillation between the neighborhood and the target, substituting the explicit neighborhood information propagation as in GNNs. As a result, GSDN enjoys the benefits of graph topology-awareness in training but has no data dependency in inference. Extensive experiments have shown that the performance of vanilla MLPs can be greatly improved with self-distillation, e.g., GSDN improves over stand-alone MLPs by 15.54\% on average and outperforms the state-of-the-art GNNs on six datasets. Regarding inference speed, GSDN infers 75X-89X faster than existing GNNs and 16X-25X faster than other inference acceleration methods.

Current natural language processing (NLP) models such as BERT and RoBERTa have achieved high overall performance, but they often make systematic errors due to bias or certain difficult features to learn. Thus research on slice detection models (SDM) which automatically identifies underperforming groups of datapoints has gradually caught more attention, which aims at both understanding model behaviors and providing insights for future model training and designing. However, there is little systematic research on SDM and quantitative evaluation of its assessment for NLP models. Our paper fills this gap by proposing "Discover, Explanation, Improvement" framework that discovers coherent and underperforming groups of datapoints and unites datapoints of each slice under human-understandable concepts; it also provides comprehensive evaluation tasks and the corresponding quantitative metrics, which enable convenient comparison for future works. Results show that our framework can accurately select error-prone datapoints with informative semantic features that summarize error patterns, based on which it directly boosts model performance by an average of 2.85 points based on trained models without tuning any parameters across multiple datasets.

In this short technical note we propose a baseline for decision-aware learning for contextual linear optimization, which solves stochastic linear optimization when cost coefficients can be predicted based on context information. We propose a decision-aware version of predict-then-optimize. We reweigh the prediction error by the decision regret incurred by an (unweighted) pilot estimator of costs to obtain a decision-aware predictor, then optimize with cost predictions from the decision-aware predictor. This method can be motivated as a finite-difference, iterate-independent approximation of the gradients of previously proposed end-to-end learning algorithms; it is also consistent with previously suggested intuition for end-to-end learning. This baseline is computationally easy to implement with readily available reweighted prediction oracles and linear optimization, and can be implemented with convex optimization so long as the prediction error minimization is convex. Empirically, we demonstrate that this approach can lead to improvements over a "predict-then-optimize" framework for settings with misspecified models, and is competitive with other end-to-end approaches. Therefore, due to its simplicity and ease of use, we suggest it as a simple baseline for end-to-end and decision-aware learning.

Identifying novel drug-target interactions (DTI) is a critical and rate limiting step in drug discovery. While deep learning models have been proposed to accelerate the identification process, we show that state-of-the-art models fail to generalize to novel (i.e., never-before-seen) structures. We first unveil the mechanisms responsible for this shortcoming, demonstrating how models rely on shortcuts that leverage the topology of the protein-ligand bipartite network, rather than learning the node features. Then, we introduce AI-Bind, a pipeline that combines network-based sampling strategies with unsupervised pre-training, allowing us to limit the annotation imbalance and improve binding predictions for novel proteins and ligands. We illustrate the value of AI-Bind by predicting drugs and natural compounds with binding affinity to SARS-CoV-2 viral proteins and the associated human proteins. We also validate these predictions via docking simulations and comparison with recent experimental evidence, and step up the process of interpreting machine learning prediction of protein-ligand binding by identifying potential active binding sites on the amino acid sequence. Overall, AI-Bind offers a powerful high-throughput approach to identify drug-target combinations, with the potential of becoming a powerful tool in drug discovery.

The goal of model compression is to reduce the size of a large neural network while retaining a comparable performance. As a result, computation and memory costs in resource-limited applications may be significantly reduced by dropping redundant weights, neurons, or layers. There have been many model compression algorithms proposed that provide impressive empirical success. However, a theoretical understanding of model compression is still limited. One problem is understanding if a network is more compressible than another of the same structure. Another problem is quantifying how much one can prune a network with theoretically guaranteed accuracy degradation. In this work, we propose to use the sparsity-sensitive $\ell_q$-norm ($0<q<1$) to characterize compressibility and provide a relationship between soft sparsity of the weights in the network and the degree of compression with a controlled accuracy degradation bound. We also develop adaptive algorithms for pruning each neuron in the network informed by our theory. Numerical studies demonstrate the promising performance of the proposed methods compared with standard pruning algorithms.

Robots operating in human environments must be able to rearrange objects into semantically-meaningful configurations, even if these objects are previously unseen. In this work, we focus on the problem of building physically-valid structures without step-by-step instructions. We propose StructDiffusion, which combines a diffusion model and an object-centric transformer to construct structures out of a single RGB-D image based on high-level language goals, such as "set the table." Our method shows how diffusion models can be used for complex multi-step 3D planning tasks. StructDiffusion improves success rate on assembling physically-valid structures out of unseen objects by on average 16% over an existing multi-modal transformer model, while allowing us to use one multi-task model to produce a wider range of different structures. We show experiments on held-out objects in both simulation and on real-world rearrangement tasks. For videos and additional results, check out our website: this http URL

To date, the best-performing blind super-resolution (SR) techniques follow one of two paradigms: A) generate and train a standard SR network on synthetic low-resolution - high-resolution (LR - HR) pairs or B) attempt to predict the degradations an LR image has suffered and use these to inform a customised SR network. Despite significant progress, subscribers to the former miss out on useful degradation information that could be used to improve the SR process. On the other hand, followers of the latter rely on weaker SR networks, which are significantly outperformed by the latest architectural advancements. In this work, we present a framework for combining any blind SR prediction mechanism with any deep SR network, using a metadata insertion block to insert prediction vectors into SR network feature maps. Through comprehensive testing, we prove that state-of-the-art contrastive and iterative prediction schemes can be successfully combined with high-performance SR networks such as RCAN and HAN within our framework. We show that our hybrid models consistently achieve stronger SR performance than both their non-blind and blind counterparts. Furthermore, we demonstrate our framework's robustness by predicting degradations and super-resolving images from a complex pipeline of blurring, noise and compression.

A population-level analysis is proposed to address data sparsity when building predictive models for engineering infrastructure. Utilising an interpretable hierarchical Bayesian approach and operational fleet data, domain expertise is naturally encoded (and appropriately shared) between different sub-groups, representing (i) use-type, (ii) component, or (iii) operating condition. Specifically, domain expertise is exploited to constrain the model via assumptions (and prior distributions) allowing the methodology to automatically share information between similar assets, improving the survival analysis of a truck fleet and power prediction in a wind farm. In each asset management example, a set of correlated functions is learnt over the fleet, in a combined inference, to learn a population model. Parameter estimation is improved when sub-fleets share correlated information at different levels of the hierarchy. In turn, groups with incomplete data automatically borrow statistical strength from those that are data-rich. The statistical correlations enable knowledge transfer via Bayesian transfer learning, and the correlations can be inspected to inform which assets share information for which effect (i.e. parameter). Both case studies demonstrate the wide applicability to practical infrastructure monitoring, since the approach is naturally adapted between interpretable fleet models of different in situ examples.

The first large-scale deployment of private federated learning uses differentially private counting in the continual release model as a subroutine (Google AI blog titled "Federated Learning with Formal Differential Privacy Guarantees"). In this case, a concrete bound on the error is very relevant to reduce the privacy parameter. The standard mechanism for continual counting is the binary mechanism. We present a novel mechanism and show that its mean squared error is both asymptotically optimal and a factor 10 smaller than the error of the binary mechanism. We also show that the constants in our analysis are almost tight by giving non-asymptotic lower and upper bounds that differ only in the constants of lower-order terms. Our algorithm is a matrix mechanism for the counting matrix and takes constant time per release. We also use our explicit factorization of the counting matrix to give an upper bound on the excess risk of the private learning algorithm of Denisov et al. (NeurIPS 2022). Our lower bound for any continual counting mechanism is the first tight lower bound on continual counting under approximate differential privacy. It is achieved using a new lower bound on a certain factorization norm, denoted by $\gamma_F(\cdot)$, in terms of the singular values of the matrix. In particular, we show that for any complex matrix, $A \in \mathbb{C}^{m \times n}$, \[ \gamma_F(A) \geq \frac{1}{\sqrt{m}}\|A\|_1, \] where $\|\cdot \|$ denotes the Schatten-1 norm. We believe this technique will be useful in proving lower bounds for a larger class of linear queries. To illustrate the power of this technique, we show the first lower bound on the mean squared error for answering parity queries.

Designing profitable and reliable trading strategies is challenging in the highly volatile cryptocurrency market. Existing works applied deep reinforcement learning methods and optimistically reported increased profits in backtesting, which may suffer from the \textit{false positive} issue due to overfitting. In this paper, we propose a practical approach to address backtest overfitting for cryptocurrency trading using deep reinforcement learning. First, we formulate the detection of backtest overfitting as a hypothesis test. Then, we train the DRL agents, estimate the probability of overfitting, and reject the overfitted agents, increasing the chance of good trading performance. Finally, on 10 cryptocurrencies over a testing period from 05/01/2022 to 06/27/2022 (during which the crypto market \textbf{crashed two times}), we show that the less overfitted deep reinforcement learning agents have a higher return than that of more overfitted agents, an equal weight strategy, and the S\&P DBM Index (market benchmark), offering confidence in possible deployment to a real market.

In this paper, we build on advances introduced by the Deep Q-Networks (DQN) approach to extend the multi-objective tabular Reinforcement Learning (RL) algorithm W-learning to large state spaces. W-learning algorithm can naturally solve the competition between multiple single policies in multi-objective environments. However, the tabular version does not scale well to environments with large state spaces. To address this issue, we replace underlying Q-tables with DQN, and propose an addition of W-Networks, as a replacement for tabular weights (W) representations. We evaluate the resulting Deep W-Networks (DWN) approach in two widely-accepted multi-objective RL benchmarks: deep sea treasure and multi-objective mountain car. We show that DWN solves the competition between multiple policies while outperforming the baseline in the form of a DQN solution. Additionally, we demonstrate that the proposed algorithm can find the Pareto front in both tested environments.

In the past years, artificial neural networks (ANNs) have become the de-facto standard to solve tasks in communications engineering that are difficult to solve with traditional methods. In parallel, the artificial intelligence community drives its research to biology-inspired, brain-like spiking neural networks (SNNs), which promise extremely energy-efficient computing. In this paper, we investigate the use of SNNs in the context of channel equalization for ultra-low complexity receivers. We propose an SNN-based equalizer with a feedback structure akin to the decision feedback equalizer (DFE). For conversion of real-world data into spike signals we introduce a novel ternary encoding and compare it with traditional log-scale encoding. We show that our approach clearly outperforms conventional linear equalizers for three different exemplary channels. We highlight that mainly the conversion of the channel output to spikes introduces a small performance penalty. The proposed SNN with a decision feedback structure enables the path to competitive energy-efficient transceivers.  ( 2 min )

Ionic Liquids (ILs) provide a promising solution for CO$_2$ capture and storage to mitigate global warming. However, identifying and designing the high-capacity IL from the giant chemical space requires expensive, and exhaustive simulations and experiments. Machine learning (ML) can accelerate the process of searching for desirable ionic molecules through accurate and efficient property predictions in a data-driven manner. But existing descriptors and ML models for the ionic molecule suffer from the inefficient adaptation of molecular graph structure. Besides, few works have investigated the explainability of ML models to help understand the learned features that can guide the design of efficient ionic molecules. In this work, we develop both fingerprint-based ML models and Graph Neural Networks (GNNs) to predict the CO$_2$ absorption in ILs. Fingerprint works on graph structure at the feature extraction stage, while GNNs directly handle molecule structure in both the feature extraction and model prediction stage. We show that our method outperforms previous ML models by reaching a high accuracy (MAE of 0.0137, $R^2$ of 0.9884). Furthermore, we take the advantage of GNNs feature representation and develop a substructure-based explanation method that provides insight into how each chemical fragments within IL molecules contribute to the CO$_2$ absorption prediction of ML models. We also show that our explanation result agrees with some ground truth from the theoretical reaction mechanism of CO$_2$ absorption in ILs, which can advise on the design of novel and efficient functional ILs in the future.

We present a static analysis for discovering differentiable or more generally smooth parts of a given probabilistic program, and show how the analysis can be used to improve the pathwise gradient estimator, one of the most popular methods for posterior inference and model learning. Our improvement increases the scope of the estimator from differentiable models to non-differentiable ones without requiring manual intervention of the user; the improved estimator automatically identifies differentiable parts of a given probabilistic program using our static analysis, and applies the pathwise gradient estimator to the identified parts while using a more general but less efficient estimator, called score estimator, for the rest of the program. Our analysis has a surprisingly subtle soundness argument, partly due to the misbehaviours of some target smoothness properties when viewed from the perspective of program analysis designers. For instance, some smoothness properties are not preserved by function composition, and this makes it difficult to analyse sequential composition soundly without heavily sacrificing precision. We formulate five assumptions on a target smoothness property, prove the soundness of our analysis under those assumptions, and show that our leading examples satisfy these assumptions. We also show that by using information from our analysis instantiated for differentiability, our improved gradient estimator satisfies an important differentiability requirement and thus computes the correct estimate on average (i.e., returns an unbiased estimate) under a regularity condition. Our experiments with representative probabilistic programs in the Pyro language show that our static analysis is capable of identifying smooth parts of those programs accurately, and making our improved pathwise gradient estimator exploit all the opportunities for high performance in those programs.

Supervised classification methods have been widely utilized for the quality assurance of the advanced manufacturing process, such as additive manufacturing (AM) for anomaly (defects) detection. However, since abnormal states (with defects) occur much less frequently than normal ones (without defects) in the manufacturing process, the number of sensor data samples collected from a normal state outweighs that from an abnormal state. This issue causes imbalanced training data for classification models, thus deteriorating the performance of detecting abnormal states in the process. It is beneficial to generate effective artificial sample data for the abnormal states to make a more balanced training set. To achieve this goal, this paper proposes a novel data augmentation method based on a generative adversarial network (GAN) using additive manufacturing process image sensor data. The novelty of our approach is that a standard GAN and classifier are jointly optimized with techniques to stabilize the learning process of standard GAN. The diverse and high-quality generated samples provide balanced training data to the classifier. The iterative optimization between GAN and classifier provides the high-performance classifier. The effectiveness of the proposed method is validated by both open-source data and real-world case studies in polymer and metal AM processes.

Offline reinforcement-learning (RL) algorithms learn to make decisions using a given, fixed training dataset without the possibility of additional online data collection. This problem setting is captivating because it holds the promise of utilizing previously collected datasets without any costly or risky interaction with the environment. However, this promise also bears the drawback of this setting. The restricted dataset induces subjective uncertainty because the agent can encounter unfamiliar sequences of states and actions that the training data did not cover. Moreover, inherent system stochasticity further increases uncertainty and aggravates the offline RL problem, preventing the agent from learning an optimal policy. To mitigate the destructive uncertainty effects, we need to balance the aspiration to take reward-maximizing actions with the incurred risk due to incorrect ones. In financial economics, modern portfolio theory (MPT) is a method that risk-averse investors can use to construct diversified portfolios that maximize their returns without unacceptable levels of risk. We integrate MPT into the agent's decision-making process to present a simple-yet-highly-effective risk-aware planning algorithm for offline RL. Our algorithm allows us to systematically account for the \emph{estimated quality} of specific actions and their \emph{estimated risk} due to the uncertainty. We show that our approach can be coupled with the Transformer architecture to yield a state-of-the-art planner for offline RL tasks, maximizing the return while significantly reducing the variance.

Deep learning (DL) methods have been widely applied to anomaly-based network intrusion detection system (NIDS) to detect malicious traffic. To expand the usage scenarios of DL-based methods, the federated learning (FL) framework allows multiple users to train a global model on the basis of respecting individual data privacy. However, it has not yet been systematically evaluated how robust FL-based NIDSs are against existing privacy attacks under existing defenses. To address this issue, we propose two privacy evaluation metrics designed for FL-based NIDSs, including (1) privacy score that evaluates the similarity between the original and recovered traffic features using reconstruction attacks, and (2) evasion rate against NIDSs using Generative Adversarial Network-based adversarial attack with the reconstructed benign traffic. We conduct experiments to show that existing defenses provide little protection that the corresponding adversarial traffic can even evade the SOTA NIDS Kitsune. To defend against such attacks and build a more robust FL-based NIDS, we further propose FedDef, a novel optimization-based input perturbation defense strategy with theoretical guarantee. It achieves both high utility by minimizing the gradient distance and strong privacy protection by maximizing the input distance. We experimentally evaluate four existing defenses on four datasets and show that our defense outperforms all the baselines in terms of privacy protection with up to 7 times higher privacy score, while maintaining model accuracy loss within 3% under optimal parameter combination.

Graphons are general and powerful models for generating graphs of varying size. In this paper, we propose to directly model graphons using neural networks, obtaining Implicit Graphon Neural Representation (IGNR). Existing work in modeling and reconstructing graphons often approximates a target graphon by a fixed resolution piece-wise constant representation. Our IGNR has the benefit that it can represent graphons up to arbitrary resolutions, and enables natural and efficient generation of arbitrary sized graphs with desired structure once the model is learned. Furthermore, we allow the input graph data to be unaligned and have different sizes by leveraging the Gromov-Wasserstein distance. We first demonstrate the effectiveness of our model by showing its superior performance on a graphon learning task. We then propose an extension of IGNR that can be incorporated into an auto-encoder framework, and demonstrate its good performance under a more general setting of graphon learning. We also show that our model is suitable for graph representation learning and graph generation.

User-generated-content (UGC) videos have dominated the Internet during recent years. While many methods attempt to objectively assess the quality of these UGC videos, the mechanisms of human quality perception in the UGC-VQA problem is still yet to be explored. To better explain the quality perception mechanisms and learn more robust representations, we aim to disentangle the effects of aesthetic quality issues and technical quality issues risen by the complicated video generation processes in the UGC-VQA problem. To overcome the absence of respective supervisions during disentanglement, we propose the Limited View Biased Supervisions (LVBS) scheme where two separate evaluators are trained with decomposed views specifically designed for each issue. Composed of an Aesthetic Quality Evaluator (AQE) and a Technical Quality Evaluator (TQE) under the LVBS scheme, the proposed Disentangled Objective Video Quality Evaluator (DOVER) reach excellent performance (0.91 SRCC for KoNViD-1k, 0.89 SRCC for LSVQ, 0.88 SRCC for YouTube-UGC) in the UGC-VQA problem. More importantly, our blind subjective studies prove that the separate evaluators in DOVER can effectively match human perception on respective disentangled quality issues. Codes and demos are released in https://github.com/teowu/dover.  ( 2 min )

We present a robust framework to perform linear regression with missing entries in the features. By considering an elliptical data distribution, and specifically a multivariate normal model, we are able to conditionally formulate a distribution for the missing entries and present a robust framework, which minimizes the worst case error caused by the uncertainty about the missing data. We show that the proposed formulation, which naturally takes into account the dependency between different variables, ultimately reduces to a convex program, for which a customized and scalable solver can be delivered. In addition to a detailed analysis to deliver such solver, we also asymptoticly analyze the behavior of the proposed framework, and present technical discussions to estimate the required input parameters. We complement our analysis with experiments performed on synthetic, semi-synthetic, and real data, and show how the proposed formulation improves the prediction accuracy and robustness, and outperforms the competing techniques. Missing data is a common problem associated with many datasets in machine learning. With the significant increase in using robust optimization techniques to train machine learning models, this paper presents a novel robust regression framework that operates by minimizing the uncertainty associated with missing data. The proposed approach allows training models with incomplete data, while minimizing the impact of uncertainty associated with the unavailable data. The ideas developed in this paper can be generalized beyond linear models and elliptical data distributions.

This letter explains an algorithm for finding a set of base functions. The method aims to capture the leading behavior of the dataset in terms of a few base functions. Implementation of the A-star search will help find these functions, while the gradient descent optimizes the parameters of the functions at each search step. We will show the resulting plots to compare the extrapolation with the unseen data.

Research in Curriculum Learning has shown better performance on the task by optimizing the sequence of the training data. Recent works have focused on using complex reinforcement learning techniques to find the optimal data ordering strategy to maximize learning for a given network. In this paper, we present a simple yet efficient technique based on continuous optimization trained with auto-encoding procedure. We call this new approach Training Sequence Optimization (TSO). With a usual encoder-decoder setup we try to learn the latent space continuous representation of the training strategy and a predictor network is used on the continuous representation to predict the accuracy of the strategy on the fixed network architecture. The performance predictor and encoder enable us to perform gradient-based optimization by gradually moving towards the latent space representation of training data ordering with potentially better accuracy. We show an empirical gain of 2AP with our generated optimal curriculum strategy over the random strategy using the CIFAR-100 and CIFAR-10 datasets and have better boosts than the existing state-of-the-art CL algorithms.

Predicting metro passenger flow precisely is of great importance for dynamic traffic planning. Deep learning algorithms have been widely applied due to their robust performance in modelling non-linear systems. However, traditional deep learning algorithms completely discard the inherent graph structure within the metro system. Graph-based deep learning algorithms could utilise the graph structure but raise a few challenges, such as how to determine the weights of the edges and the shallow receptive field caused by the over-smoothing issue. To further improve these challenges, this study proposes a model based on GraphSAGE with an edge weights learner applied. The edge weights learner utilises socially meaningful features to generate edge weights. Hypergraph and temporal exploitation modules are also constructed as add-ons for better performance. A comparison study is conducted on the proposed algorithm and other state-of-art graph neural networks, where the proposed algorithm could improve the performance.

We introduce a challenging decision-making task that we call active acquisition for multimodal temporal data (A2MT). In many real-world scenarios, input features are not readily available at test time and must instead be acquired at significant cost. With A2MT, we aim to learn agents that actively select which modalities of an input to acquire, trading off acquisition cost and predictive performance. A2MT extends a previous task called active feature acquisition to temporal decision making about high-dimensional inputs. Further, we propose a method based on the Perceiver IO architecture to address A2MT in practice. Our agents are able to solve a novel synthetic scenario requiring practically relevant cross-modal reasoning skills. On two large-scale, real-world datasets, Kinetics-700 and AudioSet, our agents successfully learn cost-reactive acquisition behavior. However, an ablation reveals they are unable to learn to learn adaptive acquisition strategies, emphasizing the difficulty of the task even for state-of-the-art models. Applications of A2MT may be impactful in domains like medicine, robotics, or finance, where modalities differ in acquisition cost and informativeness.

Machine learning frameworks such as Genetic Programming (GP) and Reinforcement Learning (RL) are gaining popularity in flow control. This work presents a comparative analysis of the two, bench-marking some of their most representative algorithms against global optimization techniques such as Bayesian Optimization (BO) and Lipschitz global optimization (LIPO). First, we review the general framework of the model-free control problem, bringing together all methods as black-box optimization problems. Then, we test the control algorithms on three test cases. These are (1) the stabilization of a nonlinear dynamical system featuring frequency cross-talk, (2) the wave cancellation from a Burgers' flow and (3) the drag reduction in a cylinder wake flow. We present a comprehensive comparison to illustrate their differences in exploration versus exploitation and their balance between `model capacity' in the control law definition versus `required complexity'. We believe that such a comparison paves the way toward the hybridization of the various methods, and we offer some perspective on their future development in the literature on flow control problems.  ( 2 min )

Motivated by neural network training in low-bit floating and fixed-point environments, this work studies the convergence of variants of SGD with computational error. Considering a general stochastic Lipschitz continuous loss function, a novel convergence result to a Clarke stationary point is presented assuming that only an approximation of its stochastic gradient can be computed as well as error in computing the SGD step itself. Different variants of SGD are then tested empirically in a variety of low-precision arithmetic environments, with improved test set accuracy achieved compared to SGD for two image recognition tasks.

Text-conditioned image generation models have recently achieved astonishing results in image quality and text alignment and are consequently employed in a fast-growing number of applications. Since they are highly data-driven, relying on billion-sized datasets randomly scraped from the internet, they also suffer, as we demonstrate, from degenerated and biased human behavior. In turn, they may even reinforce such biases. To help combat these undesired side effects, we present safe latent diffusion (SLD). Specifically, to measure the inappropriate degeneration due to unfiltered and imbalanced training sets, we establish a novel image generation test bed-inappropriate image prompts (I2P)-containing dedicated, real-world image-to-text prompts covering concepts such as nudity and violence. As our exhaustive empirical evaluation demonstrates, the introduced SLD removes and suppresses inappropriate image parts during the diffusion process, with no additional training required and no adverse effect on overall image quality or text alignment.

Online reinforcement learning is concerned with training an agent on-the-fly via dynamic interaction with the environment. Here, due to the specifics of the application, it is not generally possible to perform long pre-training, as it is commonly done in off-line, model-free approaches, which are akin to dynamic programming. Such applications may be found more frequently in industry, rather than in pure digital fields, such as cloud services, video games, database management, etc., where reinforcement learning has been demonstrating success. Online reinforcement learning, in contrast, is more akin to classical control, which utilizes some model knowledge about the environment. Stability of the closed-loop (agent plus the environment) is a major challenge for such online approaches. In this paper, we tackle this problem by a special fusion of online reinforcement learning with elements of classical control, namely, based on the Lyapunov theory of stability. The idea is to start the agent at once, without pre-training, and learn approximately optimal policy under specially designed constraints, which guarantee stability. The resulting approach was tested in an extensive experimental study with a mobile robot. A nominal parking controller was used as a baseline. It was observed that the suggested agent could always successfully park the robot, while significantly improving the cost. While many approaches may be exploited for mobile robot control, we suggest that the experiments showed the promising potential of online reinforcement learning agents based on Lyapunov-like constraints. The presented methodology may be utilized in safety-critical, industrial applications where stability is necessary.

The continuous increase in global population and the impact of climate change on crop production are expected to affect the food sector significantly. In this context, there is need for timely, large-scale and precise mapping of crops for evidence-based decision making. A key enabler towards this direction are new satellite missions that freely offer big remote sensing data of high spatio-temporal resolution and global coverage. During the previous decade and because of this surge of big Earth observations, deep learning methods have dominated the remote sensing and crop mapping literature. Nevertheless, deep learning models require large amounts of annotated data that are scarce and hard-to-acquire. To address this problem, transfer learning methods can be used to exploit available annotations and enable crop mapping for other regions, crop types and years of inspection. In this work, we have developed and trained a deep learning model for paddy rice detection in South Korea using Sentinel-1 VH time-series. We then fine-tune the model for i) paddy rice detection in France and Spain and ii) barley detection in the Netherlands. Additionally, we propose a modification in the pre-trained weights in order to incorporate extra input features (Sentinel-1 VV). Our approach shows excellent performance when transferring in different areas for the same crop type and rather promising results when transferring in a different area and crop type.

We study the problem of efficient generative inference for Transformer models, in one of its most challenging settings: large deep models, with tight latency targets and long sequence lengths. Better understanding of the engineering tradeoffs for inference for large Transformer-based models is important as use cases of these models are growing rapidly throughout application areas. We develop a simple analytical model for inference efficiency to select the best multi-dimensional partitioning techniques optimized for TPU v4 slices based on the application requirements. We combine these with a suite of low-level optimizations to achieve a new Pareto frontier on the latency and model FLOPS utilization (MFU) tradeoffs on 500B+ parameter models that outperforms the FasterTransformer suite of benchmarks. We further show that with appropriate partitioning, the lower memory requirements of multiquery attention (i.e. multiple query heads share single key/value head) enables scaling up to 32x larger context lengths. Finally, we achieve a low-batch-size latency of 29ms per token during generation (using int8 weight quantization) and a 76% MFU during large-batch-size processing of input tokens, while supporting a long 2048-token context length on the PaLM 540B parameter model.

Federated Learning (FL) enables the training of Deep Learning models without centrally collecting possibly sensitive raw data. This paves the way for stronger privacy guarantees when building predictive models. The most used algorithms for FL are parameter-averaging based schemes (e.g., Federated Averaging) that, however, have well known limits: (i) Clients must implement the same model architecture; (ii) Transmitting model weights and model updates implies high communication cost, which scales up with the number of model parameters; (iii) In presence of non-IID data distributions, parameter-averaging aggregation schemes perform poorly due to client model drifts. Federated adaptations of regular Knowledge Distillation (KD) can solve and/or mitigate the weaknesses of parameter-averaging FL algorithms while possibly introducing other trade-offs. In this article, we provide a review of KD-based algorithms tailored for specific FL issues.

Virtual, make-on-demand chemical libraries have transformed early-stage drug discovery by unlocking vast, synthetically accessible regions of chemical space. Recent years have witnessed rapid growth in these libraries from millions to trillions of compounds, hiding undiscovered, potent hits for a variety of therapeutic targets. However, they are quickly approaching a size beyond that which permits explicit enumeration, presenting new challenges for virtual screening. To overcome these challenges, we propose the Combinatorial Synthesis Library Variational Auto-Encoder (CSLVAE). The proposed generative model represents such libraries as a differentiable, hierarchically-organized database. Given a compound from the library, the molecular encoder constructs a query for retrieval, which is utilized by the molecular decoder to reconstruct the compound by first decoding its chemical reaction and subsequently decoding its reactants. Our design minimizes autoregression in the decoder, facilitating the generation of large, valid molecular graphs. Our method performs fast and parallel batch inference for ultra-large synthesis libraries, enabling a number of important applications in early-stage drug discovery. Compounds proposed by our method are guaranteed to be in the library, and thus synthetically and cost-effectively accessible. Importantly, CSLVAE can encode out-of-library compounds and search for in-library analogues. In experiments, we demonstrate the capabilities of the proposed method in the navigation of massive combinatorial synthesis libraries.

Predicting the presence of major depressive disorder (MDD) using behavioural and cognitive signals is a highly non-trivial task. The heterogeneous clinical profile of MDD means that any given speech, facial expression and/or observed cognitive pattern may be associated with a unique combination of depressive symptoms. Conventional discriminative machine learning models potentially lack the complexity to robustly model this heterogeneity. Bayesian networks, however, may instead be well-suited to such a scenario. These networks are probabilistic graphical models that efficiently describe the joint probability distribution over a set of random variables by explicitly capturing their conditional dependencies. This framework provides further advantages over standard discriminative modelling by offering the possibility to incorporate expert opinion in the graphical structure of the models, generating explainable model predictions, informing about the uncertainty of predictions, and naturally handling missing data. In this study, we apply a Bayesian framework to capture the relationships between depression, depression symptoms, and features derived from speech, facial expression and cognitive game data collected at thymia.  ( 2 min )

Studying animal movements is essential for effective wildlife conservation and conflict mitigation. For aerial movements, operational weather radars have become an indispensable data source in this respect. However, partial measurements, incomplete spatial coverage, and poor understanding of animal behaviours make it difficult to reconstruct complete spatio-temporal movement patterns from available radar data. We tackle this inverse problem by learning a mapping from high-dimensional radar measurements to low-dimensional latent representations using a convolutional encoder. Under the assumption that the latent system dynamics are well approximated by a locally linear Gaussian transition model, we perform efficient posterior estimation using the classical Kalman smoother. A convolutional decoder maps the inferred latent system states back to the physical space in which the known radar observation model can be applied, enabling fully unsupervised training. To encourage physical consistency, we additionally introduce a physics-informed loss term that leverages known mass conservation constraints. Our experiments on synthetic radar data show promising results in terms of reconstruction quality and data-efficiency.  ( 2 min )

Streets networks provide an invaluable source of information about the different temporal and spatial patterns emerging in our cities. These streets are often represented as graphs where intersections are modelled as nodes and streets as links between them. Previous work has shown that raster representations of the original data can be created through a learning algorithm on low-dimensional representations of the street networks. In contrast, models that capture high-level urban network metrics can be trained through convolutional neural networks. However, the detailed topological data is lost through the rasterisation of the street network. The models cannot recover this information from the image alone, failing to capture complex street network features. This paper proposes a model capable of inferring good representations directly from the street network. Specifically, we use a variational autoencoder with graph convolutional layers and a decoder that outputs a probabilistic fully-connected graph to learn latent representations that encode both local network structure and the spatial distribution of nodes. We train the model on thousands of street network segments and use the learnt representations to generate synthetic street configurations. Finally, we proposed a possible application to classify the urban morphology of different network segments by investigating their common characteristics in the learnt space.  ( 2 min )

A major concern of Machine Learning (ML) models is their opacity. They are deployed in an increasing number of applications where they often operate as black boxes that do not provide explanations for their predictions. Among others, the potential harms associated with the lack of understanding of the models' rationales include privacy violations, adversarial manipulations, and unfair discrimination. As a result, the accountability and transparency of ML models have been posed as critical desiderata by works in policy and law, philosophy, and computer science. In computer science, the decision-making process of ML models has been studied by developing accountability and transparency methods. Accountability methods, such as adversarial attacks and diagnostic datasets, expose vulnerabilities of ML models that could lead to malicious manipulations or systematic faults in their predictions. Transparency methods explain the rationales behind models' predictions gaining the trust of relevant stakeholders and potentially uncovering mistakes and unfairness in models' decisions. To this end, transparency methods have to meet accountability requirements as well, e.g., being robust and faithful to the underlying rationales of a model. This thesis presents my research that expands our collective knowledge in the areas of accountability and transparency of ML models developed for complex reasoning tasks over text.

The stochastic block model (SBM) is a fundamental model for studying graph clustering or community detection in networks. It has received great attention in the last decade and the balanced case, i.e., assuming all clusters have large size, has been well studied. However, our understanding of SBM with unbalanced communities (arguably, more relevant in practice) is still very limited. In this paper, we provide a simple SVD-based algorithm for recovering the communities in the SBM with communities of varying sizes. We improve upon a result of Ailon, Chen and Xu [ICML 2013] by removing the assumption that there is a large interval such that the sizes of clusters do not fall in. Under the planted clique conjecture, the size of the clusters that can be recovered by our algorithm is nearly optimal (up to polylogarithmic factors) when the probability parameters are constant. As a byproduct, we obtain a polynomial-time algorithm with sublinear query complexity for a clustering problem with a faulty oracle, which finds all clusters of size larger than $\tilde{\Omega}({\sqrt{n}})$ even if $\Omega(n)$ small clusters co-exist in the graph. In contrast, all the previous efficient algorithms that makes sublinear number of queries cannot recover any large cluster, if there are more than $\tilde{\Omega}(n^{2/5})$ small clusters.

Reproducing Kernel Hilbert spaces (RKHS) have been a very successful tool in various areas of machine learning. Recently, Barron spaces have been used to proof bounds on the generalisation error for neural networks. Unfortunately, Barron spaces cannot be understood in terms of RKHS due to the strong nonlinear coupling of the weights. We show that this can be solved by using the more general Reproducing Kernel Banach spaces (RKBS). This class of integral RKBS can be understood as an infinite union of RKHS spaces. As the RKBS is not a Hilbert space, it is not its own dual space. However, we show that its dual space is again an RKBS where the roles of the data and parameters are interchanged, forming an adjoint pair of RKBSs including a reproducing property in the dual space. This allows us to construct the saddle point problem for neural networks, which can be used in whole field of primal-dual optimisation techniques.

A growing number of Machine Learning Frameworks recently made Deep Learning accessible to a wider audience of engineers, scientists, and practitioners, by allowing straightforward use of complex neural network architectures and algorithms. However, since deep learning is rapidly evolving, not only through theoretical advancements but also with respect to hardware and software engineering, ML frameworks often lose backward compatibility and introduce technical debt that can lead to bottlenecks and sub-optimal resource utilization. Moreover, the focus is in most cases not on deep learning engineering, but rather on new models and theoretical advancements. In this work, however, we focus on engineering, more specifically on the data loading pipeline in the PyTorch Framework. We designed a series of benchmarks that outline performance issues of certain steps in the data loading process. Our findings show that for classification tasks that involve loading many files, like images, the training wall-time can be significantly improved. With our new, modified ConcurrentDataloader we can reach improvements in GPU utilization and significantly reduce batch loading time, up to 12X. This allows for the use of the cloud-based, S3-like object storage for datasets, and have comparable training time as if datasets are stored on local drives.

Two central paradigms have emerged in the reinforcement learning (RL) community: online RL and offline RL. In the online RL setting, the agent has no prior knowledge of the environment, and must interact with it in order to find an $\epsilon$-optimal policy. In the offline RL setting, the learner instead has access to a fixed dataset to learn from, but is unable to otherwise interact with the environment, and must obtain the best policy it can from this offline data. Practical scenarios often motivate an intermediate setting: if we have some set of offline data and, in addition, may also interact with the environment, how can we best use the offline data to minimize the number of online interactions necessary to learn an $\epsilon$-optimal policy? In this work, we consider this setting, which we call the \textsf{FineTuneRL} setting, for MDPs with linear structure. We characterize the necessary number of online samples needed in this setting given access to some offline dataset, and develop an algorithm, \textsc{FTPedel}, which is provably optimal. We show through an explicit example that combining offline data with online interactions can lead to a provable improvement over either purely offline or purely online RL. Finally, our results illustrate the distinction between \emph{verifiable} learning, the typical setting considered in online RL, and \emph{unverifiable} learning, the setting often considered in offline RL, and show that there is a formal separation between these regimes.

Dyadic and small group collaboration is an evolutionary advantageous behaviour and the need for such collaboration is a regular occurrence in day to day life. In this paper we estimate the perceived personality traits of individuals in dyadic and small groups over thin-slices of interaction on four multimodal datasets. We find that our transformer based predictive model performs similarly to human annotators tasked with predicting the perceived big-five personality traits of participants. Using this model we analyse the estimated perceived personality traits of individuals performing tasks in small groups and dyads. Permutation analysis shows that in the case of small groups undergoing collaborative tasks, the perceived personality of group members clusters, this is also observed for dyads in a collaborative problem solving task, but not in dyads under non-collaborative task settings. Additionally, we find that the group level average perceived personality traits provide a better predictor of group performance than the group level average self-reported personality traits.

The demonstrated success of transfer learning has popularized approaches that involve pretraining models from massive data sources and subsequent finetuning towards a specific task. While such approaches have become the norm in fields such as natural language processing, implementation and evaluation of transfer learning approaches for chemistry are in the early stages. In this work, we demonstrate finetuning for downstream tasks on a graph neural network (GNN) trained over a molecular database containing 2.7 million water clusters. The use of Graphcore IPUs as an AI accelerator for training molecular GNNs reduces training time from a reported 2.7 days on 0.5M clusters to 1.2 hours on 2.7M clusters. Finetuning the pretrained model for downstream tasks of molecular dynamics and transfer to a different potential energy surface took only 8.3 hours and 28 minutes, respectively, on a single GPU.

We propose a) a Language Agnostic end-to-end Speech Translation model (LAST), and b) a data augmentation strategy to increase code-switching (CS) performance. With increasing globalization, multiple languages are increasingly used interchangeably during fluent speech. Such CS complicates traditional speech recognition and translation, as we must recognize which language was spoken first and then apply a language-dependent recognizer and subsequent translation component to generate the desired target language output. Such a pipeline introduces latency and errors. In this paper, we eliminate the need for that, by treating speech recognition and translation as one unified end-to-end speech translation problem. By training LAST with both input languages, we decode speech into one target language, regardless of the input language. LAST delivers comparable recognition and speech translation accuracy in monolingual usage, while reducing latency and error rate considerably when CS is observed.  ( 2 min )

Safe reinforcement learning (RL) studies problems where an intelligent agent has to not only maximize reward but also avoid exploring unsafe areas. In this study, we propose CUP, a novel policy optimization method based on Constrained Update Projection framework that enjoys rigorous safety guarantee. Central to our CUP development is the newly proposed surrogate functions along with the performance bound. Compared to previous safe RL methods, CUP enjoys the benefits of 1) CUP generalizes the surrogate functions to generalized advantage estimator (GAE), leading to strong empirical performance. 2) CUP unifies performance bounds, providing a better understanding and interpretability for some existing algorithms; 3) CUP provides a non-convex implementation via only first-order optimizers, which does not require any strong approximation on the convexity of the objectives. To validate our CUP method, we compared CUP against a comprehensive list of safe RL baselines on a wide range of tasks. Experiments show the effectiveness of CUP both in terms of reward and safety constraint satisfaction. We have opened the source code of CUP at this link https://github.com/zmsn-2077/ CUP-safe-rl.

In this article, we use artificial intelligence algorithms to show how to enhance the resolution of the elementary particle track fitting in inhomogeneous dense detectors, such as plastic scintillators. We use deep learning to replace more traditional Bayesian filtering methods, drastically improving the reconstruction of the interacting particle kinematics. We show that a specific form of neural network, inherited from the field of natural language processing, is very close to the concept of a Bayesian filter that adopts a hyper-informative prior. Such a paradigm change can influence the design of future particle physics experiments and their data exploitation.

This paper presents a novel positive and negative set selection strategy for contrastive learning of medical images based on labels that can be extracted from clinical data. In the medical field, there exists a variety of labels for data that serve different purposes at different stages of a diagnostic and treatment process. Clinical labels and biomarker labels are two examples. In general, clinical labels are easier to obtain in larger quantities because they are regularly collected during routine clinical care, while biomarker labels require expert analysis and interpretation to obtain. Within the field of ophthalmology, previous work has shown that clinical values exhibit correlations with biomarker structures that manifest within optical coherence tomography (OCT) scans. We exploit this relationship between clinical and biomarker data to improve performance for biomarker classification. This is accomplished by leveraging the larger amount of clinical data as pseudo-labels for our data without biomarker labels in order to choose positive and negative instances for training a backbone network with a supervised contrastive loss. In this way, a backbone network learns a representation space that aligns with the clinical data distribution available. Afterwards, we fine-tune the network trained in this manner with the smaller amount of biomarker labeled data with a cross-entropy loss in order to classify these key indicators of disease directly from OCT scans. Our method is shown to outperform state of the art self-supervised methods by as much as 5% in terms of accuracy on individual biomarker detection.  ( 3 min )

The fashion industry is one of the most active and competitive markets in the world, manufacturing millions of products and reaching large audiences every year. A plethora of business processes are involved in this large-scale industry, but due to the generally short life-cycle of clothing items, supply-chain management and retailing strategies are crucial for good market performance. Correctly understanding the wants and needs of clients, managing logistic issues and marketing the correct products are high-level problems with a lot of uncertainty associated to them given the number of influencing factors, but most importantly due to the unpredictability often associated with the future. It is therefore straightforward that forecasting methods, which generate predictions of the future, are indispensable in order to ameliorate all the various business processes that deal with the true purpose and meaning of fashion: having a lot of people wear a particular product or style, rendering these items, people and consequently brands fashionable. In this paper, we provide an overview of three concrete forecasting tasks that any fashion company can apply in order to improve their industrial and market impact. We underline advances and issues in all three tasks and argue about their importance and the impact they can have at an industrial level. Finally, we highlight issues and directions of future work, reflecting on how learning-based forecasting methods can further aid the fashion industry.

We propose an algorithm for learning a conditional generative model of a molecule given a target. Specifically, given a receptor molecule that one wishes to bind to, the conditional model generates candidate ligand molecules that may bind to it. The distribution should be invariant to rigid body transformations that act $\textit{jointly}$ on the ligand and the receptor; it should also be invariant to permutations of either the ligand or receptor atoms. Our learning algorithm is based on a continuous normalizing flow. We establish semi-equivariance conditions on the flow which guarantee the aforementioned invariance conditions on the conditional distribution. We propose a graph neural network architecture which implements this flow, and which is designed to learn effectively despite the vast differences in size between the ligand and receptor. We evaluate our method on the CrossDocked2020 dataset, attaining a significant improvement in binding affinity over competing methods.

Quantum-enhanced data science, also known as quantum machine learning (QML), is of growing interest as an application of near-term quantum computers. Variational QML algorithms have the potential to solve practical problems on real hardware, particularly when involving quantum data. However, training these algorithms can be challenging and calls for tailored optimization procedures. Specifically, QML applications can require a large shot-count overhead due to the large datasets involved. In this work, we advocate for simultaneous random sampling over both the dataset as well as the measurement operators that define the loss function. We consider a highly general loss function that encompasses many QML applications, and we show how to construct an unbiased estimator of its gradient. This allows us to propose a shot-frugal gradient descent optimizer called Refoqus (REsource Frugal Optimizer for QUantum Stochastic gradient descent). Our numerics indicate that Refoqus can save several orders of magnitude in shot cost, even relative to optimizers that sample over measurement operators alone.

Machine-Learned Likelihoods (MLL) is a method that, by combining modern machine-learning classification techniques with likelihood-based inference tests, allows to estimate the experimental sensitivity of high-dimensional data sets. We extend the MLL method by including the exclusion hypothesis tests and show that the addition of Kernel Density Estimators avoids the need to bin the classifier output in order to extract the resulting one-dimensional signal and background probability density functions. We first test our method on toy models generated with multivariate Gaussian distributions, where the true probability distribution functions are known. We then apply it to a case of interest in the search for new physics at the HL-LHC, in which a $Z^\prime$ boson decays into lepton pairs, comparing the performance of our method for estimating 95\% CL exclusion limits to the results obtained applying a binned likelihood to the machine-learning classifier output.

Predictive simulations of the shock-to-detonation transition (SDT) in heterogeneous energetic materials (EM) are vital to the design and control of their energy release and sensitivity. Due to the complexity of the thermo-mechanics of EM during the SDT, both macro-scale response and sub-grid mesoscale energy localization must be captured accurately. This work proposes an efficient and accurate multiscale framework for SDT simulations of EM. We employ deep learning to model the mesoscale energy localization of shock-initiated EM microstructures upon which prediction results are used to supply reaction progress rate information to the macroscale SDT simulation. The proposed multiscale modeling framework is divided into two stages. First, a physics-aware recurrent convolutional neural network (PARC) is used to model the mesoscale energy localization of shock-initiated heterogeneous EM microstructures. PARC is trained using direct numerical simulations (DNS) of hotspot ignition and growth within microstructures of pressed HMX material subjected to different input shock strengths. After training, PARC is employed to supply hotspot ignition and growth rates for macroscale SDT simulations. We show that PARC can play the role of a surrogate model in a multiscale simulation framework, while drastically reducing the computation cost and providing improved representations of the sub-grid physics. The proposed multiscale modeling approach will provide a new tool for material scientists in designing high-performance and safer energetic materials.

Green Security Games with real-time information (GSG-I) add the real-time information about the agents' movement to the typical GSG formulation. Prior works on GSG-I have used deep reinforcement learning (DRL) to learn the best policy for the agent in such an environment without any need to store the huge number of state representations for GSG-I. However, the decision-making process of DRL methods is largely opaque, which results in a lack of trust in their predictions. To tackle this issue, we present an interpretable DRL method for GSG-I that generates visualization to explain the decisions taken by the DRL algorithm. We also show that this approach performs better and works well with a simpler training regimen compared to the existing method.

Word embeddings play a significant role in today's Natural Language Processing tasks and applications. While pre-trained models may be directly employed and integrated into existing pipelines, they are often fine-tuned to better fit with specific languages or domains. In this paper, we attempt to improve available embeddings in the uncovered niche of the Italian medical domain through the combination of Contrastive Learning (CL) and Knowledge Graph Embedding (KGE). The main objective is to improve the accuracy of semantic similarity between medical terms, which is also used as an evaluation task. Since the Italian language lacks medical texts and controlled vocabularies, we have developed a specific solution by combining preexisting CL methods (multi-similarity loss, contextualization, dynamic sampling) and the integration of KGEs, creating a new variant of the loss. Although without having outperformed the state-of-the-art, represented by multilingual models, the obtained results are encouraging, providing a significant leap in performance compared to the starting model, while using a significantly lower amount of data.

Differentially Private Stochastic Gradient Descent (DP-SGD) is a key method for applying privacy in the training of deep learning models. This applies isotropic Gaussian noise to gradients during training, which can perturb these gradients in any direction, damaging utility. Metric DP, however, can provide alternative mechanisms based on arbitrary metrics that might be more suitable. In this paper we apply \textit{directional privacy}, via a mechanism based on the von Mises-Fisher (VMF) distribution, to perturb gradients in terms of \textit{angular distance} so that gradient direction is broadly preserved. We show that this provides $\epsilon d$-privacy for deep learning training, rather than the $(\epsilon, \delta)$-privacy of the Gaussian mechanism; and that experimentally, on key datasets, the VMF mechanism can outperform the Gaussian in the utility-privacy trade-off.

Domain shift is a well-known problem in the medical imaging community. In particular, for endoscopic image analysis where the data can have different modalities the performance of deep learning (DL) methods gets adversely affected. In other words, methods developed on one modality cannot be used for a different modality. However, in real clinical settings, endoscopists switch between modalities for better mucosal visualisation. In this paper, we explore the domain generalisation technique to enable DL methods to be used in such scenarios. To this extend, we propose to use super pixels generated with Simple Linear Iterative Clustering (SLIC) which we refer to as "SUPRA" for SUPeRpixel Augmented method. SUPRA first generates a preliminary segmentation mask making use of our new loss "SLICLoss" that encourages both an accurate and color-consistent segmentation. We demonstrate that SLICLoss when combined with Binary Cross Entropy loss (BCE) can improve the model's generalisability with data that presents significant domain shift. We validate this novel compound loss on a vanilla U-Net using the EndoUDA dataset, which contains images for Barret's Esophagus and polyps from two modalities. We show that our method yields an improvement of nearly 25% in the target domain set compared to the baseline.

Choosing the values of hyper-parameters in sparse Bayesian learning (SBL) can significantly impact performance. However, the hyper-parameters are normally tuned manually, which is often a difficult task. Most recently, effective automatic hyper-parameter tuning was achieved by using an empirical auto-tuner. In this work, we address the issue of hyper-parameter auto-tuning using neural network (NN)-based learning. Inspired by the empirical auto-tuner, we design and learn a NN-based auto-tuner, and show that considerable improvement in convergence rate and recovery performance can be achieved.

Adversarial perturbation plays a significant role in the field of adversarial robustness, which solves a maximization problem over the input data. We show that the backward propagation of such optimization can accelerate $2\times$ (and thus the overall optimization including the forward propagation can accelerate $1.5\times$), without any utility drop, if we only compute the output gradient but not the parameter gradient during the backward propagation.

We propose a new model-based offline RL framework, called Adversarial Models for Offline Reinforcement Learning (ARMOR), which can robustly learn policies to improve upon an arbitrary baseline policy regardless of data coverage. Based on the concept of relative pessimism, ARMOR is designed to optimize for the worst-case relative performance when facing uncertainty. In theory, we prove that the learned policy of ARMOR never degrades the performance of the baseline policy with any admissible hyperparameter, and can learn to compete with the best policy within data coverage when the hyperparameter is well tuned, and the baseline policy is supported by the data. Such a robust policy improvement property makes ARMOR especially suitable for building real-world learning systems, because in practice ensuring no performance degradation is imperative before considering any benefit learning can bring.

A key challenge in science and engineering is to design experiments to learn about some unknown quantity of interest. Classical experimental design optimally allocates the experimental budget to maximize a notion of utility (e.g., reduction in uncertainty about the unknown quantity). We consider a rich setting, where the experiments are associated with states in a {\em Markov chain}, and we can only choose them by selecting a {\em policy} controlling the state transitions. This problem captures important applications, from exploration in reinforcement learning to spatial monitoring tasks. We propose an algorithm -- \textsc{markov-design} -- that efficiently selects policies whose measurement allocation \emph{provably converges to the optimal one}. The algorithm is sequential in nature, adapting its choice of policies (experiments) informed by past measurements. In addition to our theoretical analysis, we showcase our framework on applications in ecological surveillance and pharmacology.  ( 2 min )

This paper proposes a hardware-efficient architecture, Linearized Convolution Network (LiCo-Net) for keyword spotting. It is optimized specifically for low-power processor units like microcontrollers. ML operators exhibit heterogeneous efficiency profiles on power-efficient hardware. Given the exact theoretical computation cost, int8 operators are more computation-effective than float operators, and linear layers are often more efficient than other layers. The proposed LiCo-Net is a dual-phase system that uses the efficient int8 linear operators at the inference phase and applies streaming convolutions at the training phase to maintain a high model capacity. The experimental results show that LiCo-Net outperforms single-value decomposition filter (SVDF) on hardware efficiency with on-par detection performance. Compared to SVDF, LiCo-Net reduces cycles by 40% on HiFi4 DSP.  ( 2 min )

We demonstrate Tensor Query Processor (TQP): a query processor that automatically compiles relational operators into tensor programs. By leveraging tensor runtimes such as PyTorch, TQP is able to: (1) integrate with ML tools (e.g., Pandas for data ingestion, Tensorboard for visualization); (2) target different hardware (e.g., CPU, GPU) and software (e.g., browser) backends; and (3) end-to-end accelerate queries containing both relational and ML operators. TQP is generic enough to support the TPC-H benchmark, and it provides performance that is comparable to, and often better than, that of specialized CPU and GPU query processors.  ( 2 min )

Minimalist Data Wrangling with Python is envisaged as a student's first introduction to data science, providing a high-level overview as well as discussing key concepts in detail. We explore methods for cleaning data gathered from different sources, transforming, selecting, and extracting features, performing exploratory data analysis and dimensionality reduction, identifying naturally occurring data clusters, modelling patterns in data, comparing data between groups, and reporting the results. This textbook is a non-profit project. Its online and PDF versions are freely available at https://datawranglingpy.gagolewski.com/.

Physics-informed neural networks have been widely applied to learn general parametric solutions of differential equations. Here, we propose a neural network to discover parametric eigenvalue and eigenfunction surfaces of quantum systems. We apply our method to solve the hydrogen molecular ion. This is an ab-initio deep learning method that solves the Schrodinger equation with the Coulomb potential yielding realistic wavefunctions that include a cusp at the ion positions. The neural solutions are continuous and differentiable functions of the interatomic distance and their derivatives are analytically calculated by applying automatic differentiation. Such a parametric and analytical form of the solutions is useful for further calculations such as the determination of force fields.

Large language models (LLMs) have led to a series of breakthroughs in natural language processing (NLP), owing to their excellent understanding and generation abilities. Remarkably, what further sets these models apart is the massive amounts of world knowledge they internalize during pretraining. While many downstream applications provide the model with an informational context to aid its performance on the underlying task, how the model's world knowledge interacts with the factual information presented in the context remains under explored. As a desirable behavior, an LLM should give precedence to the context whenever it contains task-relevant information that conflicts with the model's memorized knowledge. This enables model predictions to be grounded in the context, which can then be used to update or correct specific model predictions without frequent retraining. By contrast, when the context is irrelevant to the task, the model should ignore it and fall back on its internal knowledge. In this paper, we undertake a first joint study of the aforementioned two properties, namely controllability and robustness, in the context of LLMs. We demonstrate that state-of-the-art T5 and PaLM (both pretrained and finetuned) could exhibit poor controllability and robustness, which do not scale with increasing model size. As a solution, we propose a novel method - Knowledge Aware FineTuning (KAFT) - to strengthen both controllability and robustness by incorporating counterfactual and irrelevant contexts to standard supervised datasets. Our comprehensive evaluation showcases the utility of KAFT across model architectures and sizes.

As the Internet grows in popularity, more and more classification jobs, such as IoT, finance industry and healthcare field, rely on mobile edge computing to advance machine learning. In the medical industry, however, good diagnostic accuracy necessitates the combination of large amounts of labeled data to train the model, which is difficult and expensive to collect and risks jeopardizing patients' privacy. In this paper, we offer a novel medical diagnostic framework that employs a federated learning platform to ensure patient data privacy by transferring classification algorithms acquired in a labeled domain to a domain with sparse or missing labeled data. Rather than using a generative adversarial network, our framework uses a discriminative model to build multiple classification loss functions with the goal of improving diagnostic accuracy. It also avoids the difficulty of collecting large amounts of labeled data or the high cost of generating large amount of sample data. Experiments on real-world image datasets demonstrates that the suggested adversarial federated transfer learning method is promising for real-world medical diagnosis applications that use image classification.

The upcoming exascale era will provide a new generation of physics simulations. These simulations will have a high spatiotemporal resolution, which will impact the training of machine learning models since storing a high amount of simulation data on disk is nearly impossible. Therefore, we need to rethink the training of machine learning models for simulations for the upcoming exascale era. This work presents an approach that trains a neural network concurrently to a running simulation without storing data on a disk. The training pipeline accesses the training data by in-memory streaming. Furthermore, we apply methods from the domain of continual learning to enhance the generalization of the model. We tested our pipeline on the training of a 3d autoencoder trained concurrently to laser wakefield acceleration particle-in-cell simulation. Furthermore, we experimented with various continual learning methods and their effect on the generalization.

This paper surveys some recent developments in measures of association related to a new coefficient of correlation introduced by the author. A straightforward extension of this coefficient to standard Borel spaces (which includes all Polish spaces), overlooked in the literature so far, is proposed at the end of the survey.

Meta learning has demonstrated tremendous success in few-shot learning with limited supervised data. In those settings, the meta model is usually overparameterized. While the conventional statistical learning theory suggests that overparameterized models tend to overfit, empirical evidence reveals that overparameterized meta learning methods still work well -- a phenomenon often called "benign overfitting." To understand this phenomenon, we focus on the meta learning settings with a challenging bilevel structure that we term the gradient-based meta learning, and analyze its generalization performance under an overparameterized meta linear regression model. While our analysis uses the relatively tractable linear models, our theory contributes to understanding the delicate interplay among data heterogeneity, model adaptation and benign overfitting in gradient-based meta learning tasks. We corroborate our theoretical claims through numerical simulations.

The extragradient method has recently gained increasing attention, due to its convergence behavior on smooth games. In $n$-player differentiable games, the eigenvalues of the Jacobian of the vector field are distributed on the complex plane, exhibiting more convoluted dynamics compared to classical (i.e., single player) minimization. In this work, we take a polynomial-based analysis of the extragradient with momentum for optimizing games with \emph{cross-shaped} Jacobian spectrum on the complex plane. We show two results. First, based on the hyperparameter setup, the extragradient with momentum exhibits three different modes of convergence: when the eigenvalues are distributed $i)$ on the real line, $ii)$ both on the real line along with complex conjugates, and $iii)$ only as complex conjugates. Then, we focus on the case $ii)$, i.e., when the eigenvalues of the Jacobian have \emph{cross-shaped} structure, as observed in training generative adversarial networks. For this problem class, we derive the optimal hyperparameters of the momentum extragradient method, and show that it achieves an accelerated convergence rate.

New technologies and the availability of geospatial data have drawn attention to spatio-temporal biases present in society. For example: the COVID-19 pandemic highlighted disparities in the availability of broadband service and its role in the digital divide; the environmental justice movement in the United States has raised awareness to health implications for minority populations stemming from historical redlining practices; and studies have found varying quality and coverage in the collection and sharing of open-source geospatial data. Despite the extensive literature on machine learning (ML) fairness, few algorithmic strategies have been proposed to mitigate such biases. In this paper we highlight the unique challenges for quantifying and addressing spatio-temporal biases, through the lens of use cases presented in the scientific literature and media. We envision a roadmap of ML strategies that need to be developed or adapted to quantify and overcome these challenges -- including transfer learning, active learning, and reinforcement learning techniques. Further, we discuss the potential role of ML in providing guidance to policy makers on issues related to spatial fairness.

The rise of big data analytics has automated the decision-making of companies and increased supply chain agility. In this paper, we study the supply chain contract design problem faced by a data-driven supplier who needs to respond to the inventory decisions of the downstream retailer. Both the supplier and the retailer are uncertain about the market demand and need to learn about it sequentially. The goal for the supplier is to develop data-driven pricing policies with sublinear regret bounds under a wide range of possible retailer inventory policies for a fixed time horizon. To capture the dynamics induced by the retailer's learning policy, we first make a connection to non-stationary online learning by following the notion of variation budget. The variation budget quantifies the impact of the retailer's learning strategy on the supplier's decision-making. We then propose dynamic pricing policies for the supplier for both discrete and continuous demand. We also note that our proposed pricing policy only requires access to the support of the demand distribution, but critically, does not require the supplier to have any prior knowledge about the retailer's learning policy or the demand realizations. We examine several well-known data-driven policies for the retailer, including sample average approximation, distributionally robust optimization, and parametric approaches, and show that our pricing policies lead to sublinear regret bounds in all these cases. At the managerial level, we answer affirmatively that there is a pricing policy with a sublinear regret bound under a wide range of retailer's learning policies, even though she faces a learning retailer and an unknown demand distribution. Our work also provides a novel perspective in data-driven operations management where the principal has to learn to react to the learning policies employed by other agents in the system.

Machine learning algorithms typically assume that the training and test samples come from the same distributions, i.e., in-distribution. However, in open-world scenarios, streaming big data can be Out-Of-Distribution (OOD), rendering these algorithms ineffective. Prior solutions to the OOD challenge seek to identify invariant features across different training domains. The underlying assumption is that these invariant features should also work reasonably well in the unlabeled target domain. By contrast, this work is interested in the domain-specific features that include both invariant features and features unique to the target domain. We propose a simple yet effective approach that relies on correlations in general regardless of whether the features are invariant or not. Our approach uses the most confidently predicted samples identified by an OOD base model (teacher model) to train a new model (student model) that effectively adapts to the target domain. Empirical evaluations on benchmark datasets show that the performance is improved over the SOTA by ~10-20%

The emergence of variational quantum applications has led to the development of automatic differentiation techniques in quantum computing. Recently, Zhu et al. (PLDI 2020) have formulated differentiable quantum programming with bounded loops, providing a framework for scalable gradient calculation by quantum means for training quantum variational applications. However, promising parameterized quantum applications, e.g., quantum walk and unitary implementation, cannot be trained in the existing framework due to the natural involvement of unbounded loops. To fill in the gap, we provide the first differentiable quantum programming framework with unbounded loops, including a newly designed differentiation rule, code transformation, and their correctness proof. Technically, we introduce a randomized estimator for derivatives to deal with the infinite sum in the differentiation of unbounded loops, whose applicability in classical and probabilistic programming is also discussed. We implement our framework with Python and Q#, and demonstrate a reasonable sample efficiency. Through extensive case studies, we showcase an exciting application of our framework in automatically identifying close-to-optimal parameters for several parameterized quantum applications.

Deep neural networks are powerful tools to detect hidden patterns in data and leverage them to make predictions, but they are not designed to understand uncertainty and estimate reliable probabilities. In particular, they tend to be overconfident. We begin to address this problem in the context of multi-class classification by developing a novel training algorithm producing models with more dependable uncertainty estimates, without sacrificing predictive power. The idea is to mitigate overconfidence by minimizing a loss function, inspired by advances in conformal inference, that quantifies model uncertainty by carefully leveraging hold-out data. Experiments with synthetic and real data demonstrate this method can lead to smaller conformal prediction sets with higher conditional coverage, after exact calibration with hold-out data, compared to state-of-the-art alternatives.

The problem of secure source coding with multiple terminals is extended by considering a remote source whose noisy measurements are the correlated random variables used for secure source reconstruction. The main additions to the problem include 1) all terminals noncausally observe a noisy measurement of the remote source; 2) a private key is available to all legitimate terminals; 3) the public communication link between the encoder and decoder is rate-limited; and 4) the secrecy leakage to the eavesdropper is measured with respect to the encoder input, whereas the privacy leakage is measured with respect to the remote source. Exact rate regions are characterized for a lossy source coding problem with a private key, remote source, and decoder side information under security, privacy, communication, and distortion constraints. By replacing the distortion constraint with a reliability constraint, we obtain the exact rate region also for the lossless case. Furthermore, the lossy rate region for scalar discrete-time Gaussian sources and measurement channels is established.

One of the key problems in computer vision is adaptation: models are too rigid to follow the variability of the inputs. The canonical computation that explains adaptation in sensory neuroscience is divisive normalization, and it has appealing effects on image manifolds. In this work we show that including divisive normalization in current deep networks makes them more invariant to non-informative changes in the images. In particular, we focus on U-Net architectures for image segmentation. Experiments show that the inclusion of divisive normalization in the U-Net architecture leads to better segmentation results with respect to conventional U-Net. The gain increases steadily when dealing with images acquired in bad weather conditions. In addition to the results on the Cityscapes and Foggy Cityscapes datasets, we explain these advantages through visualization of the responses: the equalization induced by the divisive normalization leads to more invariant features to local changes in contrast and illumination.

Due to domain shift, deep neural networks (DNNs) usually fail to generalize well on unknown test data in practice. Domain generalization (DG) aims to overcome this issue by capturing domain-invariant representations from source domains. Motivated by the insight that only partial parameters of DNNs are optimized to extract domain-invariant representations, we expect a general model that is capable of well perceiving and emphatically updating such domain-invariant parameters. In this paper, we propose two modules of Domain Decoupling and Combination (DDC) and Domain-invariance-guided Backpropagation (DIGB), which can encourage such general model to focus on the parameters that have a unified optimization direction between pairs of contrastive samples. Our extensive experiments on two benchmarks have demonstrated that our proposed method has achieved state-of-the-art performance with strong generalization capability.

Artificial neural networks are functions depending on a finite number of parameters typically encoded as weights and biases. The identification of the parameters of the network from finite samples of input-output pairs is often referred to as the \emph{teacher-student model}, and this model has represented a popular framework for understanding training and generalization. Even if the problem is NP-complete in the worst case, a rapidly growing literature -- after adding suitable distributional assumptions -- has established finite sample identification of two-layer networks with a number of neurons $m=\mathcal O(D)$, $D$ being the input dimension. For the range $D<m<D^2$ the problem becomes harder, and truly little is known for networks parametrized by biases as well. This paper fills the gap by providing constructive methods and theoretical guarantees of finite sample identification for such wider shallow networks with biases. Our approach is based on a two-step pipeline: first, we recover the direction of the weights, by exploiting second order information; next, we identify the signs by suitable algebraic evaluations, and we recover the biases by empirical risk minimization via gradient descent. Numerical results demonstrate the effectiveness of our approach.

In this paper, we present methods for two types of metacognitive tasks in an AI system: rapidly expanding a neural classification model to accommodate a new category of object, and recognizing when a novel object type is observed instead of misclassifying the observation as a known class. Our methods take numerical data drawn from an embodied simulation environment, which describes the motion and properties of objects when interacted with, and we demonstrate that this type of representation is important for the success of novel type detection. We present a suite of experiments in rapidly accommodating the introduction of new categories and concepts and in novel type detection, and an architecture to integrate the two in an interactive system.

Wildfires are a common problem in many areas of the world with often catastrophic consequences. A number of systems have been created to provide early warnings of wildfires, including those that use satellite data to detect fires. The increased availability of small satellites, such as CubeSats, allows the wildfire detection response time to be reduced by deploying constellations of multiple satellites over regions of interest. By using machine learned components on-board the satellites, constraints which limit the amount of data that can be processed and sent back to ground stations can be overcome. There are hazards associated with wildfire alert systems, such as failing to detect the presence of a wildfire, or detecting a wildfire in the incorrect location. It is therefore necessary to be able to create a safety assurance case for the wildfire alert ML component that demonstrates it is sufficiently safe for use. This paper describes in detail how a safety assurance case for an ML wildfire alert system is created. This represents the first fully developed safety case for an ML component containing explicit argument and evidence as to the safety of the machine learning.

Text-based games present a unique class of sequential decision making problem in which agents interact with a partially observable, simulated environment via actions and observations conveyed through natural language. Such observations typically include instructions that, in a reinforcement learning (RL) setting, can directly or indirectly guide a player towards completing reward-worthy tasks. In this work, we study the ability of RL agents to follow such instructions. We conduct experiments that show that the performance of state-of-the-art text-based game agents is largely unaffected by the presence or absence of such instructions, and that these agents are typically unable to execute tasks to completion. To further study and address the task of instruction following, we equip RL agents with an internal structured representation of natural language instructions in the form of Linear Temporal Logic (LTL), a formal language that is increasingly used for temporally extended reward specification in RL. Our framework both supports and highlights the benefit of understanding the temporal semantics of instructions and in measuring progress towards achievement of such a temporally extended behaviour. Experiments with 500+ games in TextWorld demonstrate the superior performance of our approach.

The ability to dynamically adapt neural networks to newly-available data without performance deterioration would revolutionize deep learning applications. Streaming learning (i.e., learning from one data example at a time) has the potential to enable such real-time adaptation, but current approaches i) freeze a majority of network parameters during streaming and ii) are dependent upon offline, base initialization procedures over large subsets of data, which damages performance and limits applicability. To mitigate these shortcomings, we propose Cold Start Streaming Learning (CSSL), a simple, end-to-end approach for streaming learning with deep networks that uses a combination of replay and data augmentation to avoid catastrophic forgetting. Because CSSL updates all model parameters during streaming, the algorithm is capable of beginning streaming from a random initialization, making base initialization optional. Going further, the algorithm's simplicity allows theoretical convergence guarantees to be derived using analysis of the Neural Tangent Random Feature (NTRF). In experiments, we find that CSSL outperforms existing baselines for streaming learning in experiments on CIFAR100, ImageNet, and Core50 datasets. Additionally, we propose a novel multi-task streaming learning setting and show that CSSL performs favorably in this domain. Put simply, CSSL performs well and demonstrates that the complicated, multi-step training pipelines adopted by most streaming methodologies can be replaced with a simple, end-to-end learning approach without sacrificing performance.

We introduce and study a novel model-selection strategy for Bayesian learning, based on optimal transport, along with its associated predictive posterior law: the Wasserstein population barycenter of the posterior law over models. We first show how this estimator, termed Bayesian Wasserstein barycenter (BWB), arises naturally in a general, parameter-free Bayesian model-selection framework, when the considered Bayesian risk is the Wasserstein distance. Examples are given, illustrating how the BWB extends some classic parametric and non-parametric selection strategies. Furthermore, we also provide explicit conditions granting the existence and statistical consistency of the BWB, and discuss some of its general and specific properties, providing insights into its advantages compared to usual choices, such as the model average estimator. Finally, we illustrate how this estimator can be computed using the stochastic gradient descent (SGD) algorithm in Wasserstein space introduced in a companion paper arXiv:2201.04232v2 [math.OC], and provide a numerical example for experimental validation of the proposed method.

Albeit the Dice loss is one of the dominant loss functions in medical image segmentation, most research omits a closer look at its derivative, i.e. the real motor of the optimization when using gradient descent. In this paper, we highlight the peculiar action of the Dice loss in the presence of missing or empty labels. First, we formulate a theoretical basis that gives a general description of the Dice loss and its derivative. It turns out that the choice of the reduction dimensions $\Phi$ and the smoothing term $\epsilon$ is non-trivial and greatly influences its behavior. We find and propose heuristic combinations of $\Phi$ and $\epsilon$ that work in a segmentation setting with either missing or empty labels. Second, we empirically validate these findings in a binary and multiclass segmentation setting using two publicly available datasets. We confirm that the choice of $\Phi$ and $\epsilon$ is indeed pivotal. With $\Phi$ chosen such that the reductions happen over a single batch (and class) element and with a negligible $\epsilon$, the Dice loss deals with missing labels naturally and performs similarly compared to recent adaptations specific for missing labels. With $\Phi$ chosen such that the reductions happen over multiple batch elements or with a heuristic value for $\epsilon$, the Dice loss handles empty labels correctly. We believe that this work highlights some essential perspectives and hope that it encourages researchers to better describe their exact implementation of the Dice loss in future work.

Many real-world systems can be represented as graphs where the different entities are presented by nodes and their interactions by edges. An important task in studying large datasets is graph clustering. While there has been a lot of work on graph clustering using the connectivity between the nodes, many real-world networks also have node attributes. Clustering attributed graphs requires joint modeling of graph structure and node attributes. Recent work has focused on graph convolutional networks and graph convolutional filters to combine structural and content information. However, these methods are mostly limited to lowpass filtering and do not explicitly optimize the filters for the clustering task. In this paper, we introduce a graph signal processing based approach, where we design polynomial graph filters optimized for clustering. The proposed approach is formulated as a two-step iterative optimization problem where graph filters that are interpretable and optimal for the given data are learned while maximizing the separation between different clusters. The proposed approach is evaluated on attributed networks and compared to the state-of-the-art graph convolutional network approaches.

Effectively exploring the environment is a key challenge in reinforcement learning (RL). We address this challenge by defining a novel intrinsic reward based on a foundation model, such as contrastive language image pretraining (CLIP), which can encode a wealth of domain-independent semantic visual-language knowledge about the world. Specifically, our intrinsic reward is defined based on pre-trained CLIP embeddings without any fine-tuning or learning on the target RL task. We demonstrate that CLIP-based intrinsic rewards can drive exploration towards semantically meaningful states and outperform state-of-the-art methods in challenging sparse-reward procedurally-generated environments.

Learning an explainable classifier often results in low accuracy model or ends up with a huge rule set, while learning a deep model is usually more capable of handling noisy data at scale, but with the cost of hard to explain the result and weak at generalization. To mitigate this gap, we propose an end-to-end deep explainable learning approach that combines the advantage of deep model in noise handling and expert rule-based interpretability. Specifically, we propose to learn a deep data assessing model which models the data as a graph to represent the correlations among different observations, whose output will be used to extract key data features. The key features are then fed into a rule network constructed following predefined noisy expert rules with trainable parameters. As these models are correlated, we propose an end-to-end training framework, utilizing the rule classification loss to optimize the rule learning model and data assessing model at the same time. As the rule-based computation is none-differentiable, we propose a gradient linking search module to carry the gradient information from the rule learning model to the data assessing model. The proposed method is tested in an industry production system, showing comparable prediction accuracy, much higher generalization stability and better interpretability when compared with a decent deep ensemble baseline, and shows much better fitting power than pure rule-based approach.

Explainability has been widely stated as a cornerstone of the responsible and trustworthy use of machine learning models. With the ubiquitous use of Deep Neural Network (DNN) models expanding to risk-sensitive and safety-critical domains, many methods have been proposed to explain the decisions of these models. Recent years have also seen concerted efforts that have shown how such explanations can be distorted (attacked) by minor input perturbations. While there have been many surveys that review explainability methods themselves, there has been no effort hitherto to assimilate the different methods and metrics proposed to study the robustness of explanations of DNN models. In this work, we present a comprehensive survey of methods that study, understand, attack, and defend explanations of DNN models. We also present a detailed review of different metrics used to evaluate explanation methods, as well as describe attributional attack and defense methods. We conclude with lessons and take-aways for the community towards ensuring robust explanations of DNN model predictions.

OutlierDetection.jl is an open-source ecosystem for outlier detection in Julia. It provides a range of high-performance outlier detection algorithms implemented directly in Julia. In contrast to previous packages, our ecosystem enables the development highly-scalable outlier detection algorithms using a high-level programming language. Additionally, it provides a standardized, yet flexible, interface for future outlier detection algorithms and allows for model composition unseen in previous packages. Best practices such as unit testing, continuous integration, and code coverage reporting are enforced across the ecosystem. The most recent version of OutlierDetection.jl is available at https://github.com/OutlierDetectionJL/OutlierDetection.jl.

Seizure type identification is essential for the treatment and management of epileptic patients. However, it is a difficult process known to be time consuming and labor intensive. Automated diagnosis systems, with the advancement of machine learning algorithms, have the potential to accelerate the classification process, alert patients, and support physicians in making quick and accurate decisions. In this paper, we present a novel multi-path seizure-type classification deep learning network (MP-SeizNet), consisting of a convolutional neural network (CNN) and a bidirectional long short-term memory neural network (Bi-LSTM) with an attention mechanism. The objective of this study was to classify specific types of seizures, including complex partial, simple partial, absence, tonic, and tonic-clonic seizures, using only electroencephalogram (EEG) data. The EEG data is fed to our proposed model in two different representations. The CNN was fed with wavelet-based features extracted from the EEG signals, while the Bi-LSTM was fed with raw EEG signals to let our MP-SeizNet jointly learns from different representations of seizure data for more accurate information learning. The proposed MP-SeizNet was evaluated using the largest available EEG epilepsy database, the Temple University Hospital EEG Seizure Corpus, TUSZ v1.5.2. We evaluated our proposed model across different patient data using three-fold cross-validation and across seizure data using five-fold cross-validation, achieving F1 scores of 87.6% and 98.1%, respectively.

An effective aggregation of node features into a graph-level representation via readout functions is an essential step in numerous learning tasks involving graph neural networks. Typically, readouts are simple and non-adaptive functions designed such that the resulting hypothesis space is permutation invariant. Prior work on deep sets indicates that such readouts might require complex node embeddings that can be difficult to learn via standard neighborhood aggregation schemes. Motivated by this, we investigate the potential of adaptive readouts given by neural networks that do not necessarily give rise to permutation invariant hypothesis spaces. We argue that in some problems such as binding affinity prediction where molecules are typically presented in a canonical form it might be possible to relax the constraints on permutation invariance of the hypothesis space and learn a more effective model of the affinity by employing an adaptive readout function. Our empirical results demonstrate the effectiveness of neural readouts on more than 40 datasets spanning different domains and graph characteristics. Moreover, we observe a consistent improvement over standard readouts (i.e., sum, max, and mean) relative to the number of neighborhood aggregation iterations and different convolutional operators.

This article focuses on the control center of each human body: the brain. We will point out the pivotal role of the cerebral vasculature and how its complex mechanisms may vary between subjects. We then emphasize a specific acute pathological state, i.e., acute ischemic stroke, and show how medical imaging and its analysis can be used to define the treatment. We show how the core-penumbra concept is used in practice using mismatch criteria and how machine learning can be used to make predictions of the final infarct, either via deconvolution or convolutional neural networks.

Health sensing for chronic disease management creates immense benefits for social welfare. Existing health sensing studies primarily focus on the prediction of physical chronic diseases. Depression, a widespread complication of chronic diseases, is however understudied. We draw on the medical literature to support depression prediction using motion sensor data. To connect human expertise in the decision-making, safeguard trust for this high-stake prediction, and ensure algorithm transparency, we develop an interpretable deep learning model: Temporal Prototype Network (TempPNet). TempPNet is built upon the emergent prototype learning models. To accommodate the temporal characteristic of sensor data and the progressive property of depression, TempPNet differs from existing prototype learning models in its capability of capturing the temporal progression of depression. Extensive empirical analyses using real-world motion sensor data show that TempPNet outperforms state-of-the-art benchmarks in depression prediction. Moreover, TempPNet interprets its predictions by visualizing the temporal progression of depression and its corresponding symptoms detected from sensor data. We further conduct a user study to demonstrate its superiority over the benchmarks in interpretability. This study offers an algorithmic solution for impactful social good - collaborative care of chronic diseases and depression in health sensing. Methodologically, it contributes to extant literature with a novel interpretable deep learning model for depression prediction from sensor data. Patients, doctors, and caregivers can deploy our model on mobile devices to monitor patients' depression risks in real-time. Our model's interpretability also allows human experts to participate in the decision-making by reviewing the interpretation of prediction outcomes and making informed interventions.

This work studies the multi-task functional linear regression models where both the covariates and the unknown regression coefficients (called slope functions) are curves. For slope function estimation, we employ penalized splines to balance bias, variance, and computational complexity. The power of multi-task learning is brought in by imposing additional structures over the slope functions. We propose a general model with double regularization over the spline coefficient matrix: i) a matrix manifold constraint, and ii) a composite penalty as a summation of quadratic terms. Many multi-task learning approaches can be treated as special cases of this proposed model, such as a reduced-rank model and a graph Laplacian regularized model. We show the composite penalty induces a specific norm, which helps to quantify the manifold curvature and determine the corresponding proper subset in the manifold tangent space. The complexity of tangent space subset is then bridged to the complexity of geodesic neighbor via generic chaining. A unified convergence upper bound is obtained and specifically applied to the reduced-rank model and the graph Laplacian regularized model. The phase transition behaviors for the estimators are examined as we vary the configurations of model parameters.  ( 2 min )

Two central paradigms have emerged in the reinforcement learning (RL) community: online RL and offline RL. In the online RL setting, the agent has no prior knowledge of the environment, and must interact with it in order to find an $\epsilon$-optimal policy. In the offline RL setting, the learner instead has access to a fixed dataset to learn from, but is unable to otherwise interact with the environment, and must obtain the best policy it can from this offline data. Practical scenarios often motivate an intermediate setting: if we have some set of offline data and, in addition, may also interact with the environment, how can we best use the offline data to minimize the number of online interactions necessary to learn an $\epsilon$-optimal policy? In this work, we consider this setting, which we call the \textsf{FineTuneRL} setting, for MDPs with linear structure. We characterize the necessary number of online samples needed in this setting given access to some offline dataset, and develop an algorithm, \textsc{FTPedel}, which is provably optimal. We show through an explicit example that combining offline data with online interactions can lead to a provable improvement over either purely offline or purely online RL. Finally, our results illustrate the distinction between \emph{verifiable} learning, the typical setting considered in online RL, and \emph{unverifiable} learning, the setting often considered in offline RL, and show that there is a formal separation between these regimes.  ( 2 min )

A flexible conformal inference method is developed to construct confidence intervals for the frequencies of queried objects in very large data sets, based on a much smaller sketch of those data. The approach is data-adaptive and requires no knowledge of the data distribution or of the details of the sketching algorithm; instead, it constructs provably valid frequentist confidence intervals under the sole assumption of data exchangeability. Although our solution is broadly applicable, this paper focuses on applications involving the count-min sketch algorithm and a non-linear variation thereof. The performance is compared to that of frequentist and Bayesian alternatives through simulations and experiments with data sets of SARS-CoV-2 DNA sequences and classic English literature.

We consider stochastic gradient descents on the space of large symmetric matrices of suitable functions that are invariant under permuting the rows and columns using the same permutation. We establish deterministic limits of these random curves as the dimensions of the matrices go to infinity while the entries remain bounded. Under a "small noise" assumption the limit is shown to be the gradient flow of functions on graphons whose existence was established in arXiv:2111.09459. We also consider limits of stochastic gradient descents with added properly scaled reflected Brownian noise. The limiting curve of graphons is characterized by a family of stochastic differential equations with reflections and can be thought of as an extension of the classical McKean-Vlasov limit for interacting diffusions. The proofs introduce a family of infinite-dimensional exchangeable arrays of reflected diffusions and a novel notion of propagation of chaos for large matrices of interacting diffusions.

In this short technical note we propose a baseline for decision-aware learning for contextual linear optimization, which solves stochastic linear optimization when cost coefficients can be predicted based on context information. We propose a decision-aware version of predict-then-optimize. We reweigh the prediction error by the decision regret incurred by an (unweighted) pilot estimator of costs to obtain a decision-aware predictor, then optimize with cost predictions from the decision-aware predictor. This method can be motivated as a finite-difference, iterate-independent approximation of the gradients of previously proposed end-to-end learning algorithms; it is also consistent with previously suggested intuition for end-to-end learning. This baseline is computationally easy to implement with readily available reweighted prediction oracles and linear optimization, and can be implemented with convex optimization so long as the prediction error minimization is convex. Empirically, we demonstrate that this approach can lead to improvements over a "predict-then-optimize" framework for settings with misspecified models, and is competitive with other end-to-end approaches. Therefore, due to its simplicity and ease of use, we suggest it as a simple baseline for end-to-end and decision-aware learning.

This paper surveys some recent developments in measures of association related to a new coefficient of correlation introduced by the author. A straightforward extension of this coefficient to standard Borel spaces (which includes all Polish spaces), overlooked in the literature so far, is proposed at the end of the survey.

We study stochastic optimization algorithms for constrained nonconvex stochastic optimization problems with Markovian data. In particular, we focus on the case when the transition kernel of the Markov chain is state-dependent. Such stochastic optimization problems arise in various machine learning problems including strategic classification and reinforcement learning. For this problem, we study both projection-based and projection-free algorithms. In both cases, we establish that the number of calls to the stochastic first-order oracle to obtain an appropriately defined $\epsilon$-stationary point is of the order $\mathcal{O}(1/\epsilon^{2.5})$. In the projection-free setting we additionally establish that the number of calls to the linear minimization oracle is of order $\mathcal{O}(1/\epsilon^{5.5})$. We also empirically demonstrate the performance of our algorithm on the problem of strategic classification with neural networks.

A flexible method is developed to construct a confidence interval for the frequency of a queried object in a very large data set, based on a much smaller sketch of the data. The approach requires no knowledge of the data distribution or of the details of the sketching algorithm; instead, it constructs provably valid frequentist confidence intervals for random queries using a conformal inference approach. After achieving marginal coverage for random queries under the assumption of data exchangeability, the proposed method is extended to provide stronger inferences accounting for possibly heterogeneous frequencies of different random queries, redundant queries, and distribution shifts. While the presented methods are broadly applicable, this paper focuses on use cases involving the count-min sketch algorithm and a non-linear variation thereof, to facilitate comparison to prior work. In particular, the developed methods are compared empirically to frequentist and Bayesian alternatives, through simulations and experiments with data sets of SARS-CoV-2 DNA sequences and classic English literature.

The US Census Bureau will deliberately corrupt data sets derived from the 2020 US Census in an effort to maintain privacy, suggesting a painful trade-off between the privacy of respondents and the precision of economic analysis. To investigate whether this trade-off is inevitable, we formulate a semiparametric model of causal inference with high dimensional corrupted data. We propose a procedure for data cleaning, estimation, and inference with data cleaning-adjusted confidence intervals. We prove consistency, Gaussian approximation, and semiparametric efficiency by finite sample arguments, with a rate of $n^{-1/2}$ for semiparametric estimands that degrades gracefully for nonparametric estimands. Our key assumption is that the true covariates are approximately low rank, which we interpret as approximate repeated measurements and validate in the Census. In our analysis, we provide nonasymptotic theoretical contributions to matrix completion, statistical learning, and semiparametric statistics. Calibrated simulations verify the coverage of our data cleaning-adjusted confidence intervals and demonstrate the relevance of our results for 2020 Census data.

A classical result in learning theory shows the equivalence of PAC learnability of binary hypothesis classes and the finiteness of VC dimension. Extending this to the multiclass setting was an open problem, which was settled in a recent breakthrough result characterizing multiclass PAC learnability via the DS dimension introduced earlier by Daniely and Shalev-Shwartz. In this work we consider list PAC learning where the goal is to output a list of $k$ predictions. List learning algorithms have been developed in several settings before and indeed, list learning played an important role in the recent characterization of multiclass learnability. In this work we ask: when is it possible to $k$-list learn a hypothesis class? We completely characterize $k$-list learnability in terms of a generalization of DS dimension that we call the $k$-DS dimension. Generalizing the recent characterization of multiclass learnability, we show that a hypothesis class is $k$-list learnable if and only if the $k$-DS dimension is finite.

Quantum-enhanced data science, also known as quantum machine learning (QML), is of growing interest as an application of near-term quantum computers. Variational QML algorithms have the potential to solve practical problems on real hardware, particularly when involving quantum data. However, training these algorithms can be challenging and calls for tailored optimization procedures. Specifically, QML applications can require a large shot-count overhead due to the large datasets involved. In this work, we advocate for simultaneous random sampling over both the dataset as well as the measurement operators that define the loss function. We consider a highly general loss function that encompasses many QML applications, and we show how to construct an unbiased estimator of its gradient. This allows us to propose a shot-frugal gradient descent optimizer called Refoqus (REsource Frugal Optimizer for QUantum Stochastic gradient descent). Our numerics indicate that Refoqus can save several orders of magnitude in shot cost, even relative to optimizers that sample over measurement operators alone.

Streets networks provide an invaluable source of information about the different temporal and spatial patterns emerging in our cities. These streets are often represented as graphs where intersections are modelled as nodes and streets as links between them. Previous work has shown that raster representations of the original data can be created through a learning algorithm on low-dimensional representations of the street networks. In contrast, models that capture high-level urban network metrics can be trained through convolutional neural networks. However, the detailed topological data is lost through the rasterisation of the street network. The models cannot recover this information from the image alone, failing to capture complex street network features. This paper proposes a model capable of inferring good representations directly from the street network. Specifically, we use a variational autoencoder with graph convolutional layers and a decoder that outputs a probabilistic fully-connected graph to learn latent representations that encode both local network structure and the spatial distribution of nodes. We train the model on thousands of street network segments and use the learnt representations to generate synthetic street configurations. Finally, we proposed a possible application to classify the urban morphology of different network segments by investigating their common characteristics in the learnt space.

We develop Bayesian neural networks (BNNs) that permit to model generic nonlinearities and time variation for (possibly large sets of) macroeconomic and financial variables. From a methodological point of view, we allow for a general specification of networks that can be applied to either dense or sparse datasets, and combines various activation functions, a possibly very large number of neurons, and stochastic volatility (SV) for the error term. From a computational point of view, we develop fast and efficient estimation algorithms for the general BNNs we introduce. From an empirical point of view, we show both with simulated data and with a set of common macro and financial applications that our BNNs can be of practical use, particularly so for observations in the tails of the cross-sectional or time series distributions of the target variables.

A population-level analysis is proposed to address data sparsity when building predictive models for engineering infrastructure. Utilising an interpretable hierarchical Bayesian approach and operational fleet data, domain expertise is naturally encoded (and appropriately shared) between different sub-groups, representing (i) use-type, (ii) component, or (iii) operating condition. Specifically, domain expertise is exploited to constrain the model via assumptions (and prior distributions) allowing the methodology to automatically share information between similar assets, improving the survival analysis of a truck fleet and power prediction in a wind farm. In each asset management example, a set of correlated functions is learnt over the fleet, in a combined inference, to learn a population model. Parameter estimation is improved when sub-fleets share correlated information at different levels of the hierarchy. In turn, groups with incomplete data automatically borrow statistical strength from those that are data-rich. The statistical correlations enable knowledge transfer via Bayesian transfer learning, and the correlations can be inspected to inform which assets share information for which effect (i.e. parameter). Both case studies demonstrate the wide applicability to practical infrastructure monitoring, since the approach is naturally adapted between interpretable fleet models of different in situ examples.

Artificial neural networks are functions depending on a finite number of parameters typically encoded as weights and biases. The identification of the parameters of the network from finite samples of input-output pairs is often referred to as the \emph{teacher-student model}, and this model has represented a popular framework for understanding training and generalization. Even if the problem is NP-complete in the worst case, a rapidly growing literature -- after adding suitable distributional assumptions -- has established finite sample identification of two-layer networks with a number of neurons $m=\mathcal O(D)$, $D$ being the input dimension. For the range $D<m<D^2$ the problem becomes harder, and truly little is known for networks parametrized by biases as well. This paper fills the gap by providing constructive methods and theoretical guarantees of finite sample identification for such wider shallow networks with biases. Our approach is based on a two-step pipeline: first, we recover the direction of the weights, by exploiting second order information; next, we identify the signs by suitable algebraic evaluations, and we recover the biases by empirical risk minimization via gradient descent. Numerical results demonstrate the effectiveness of our approach.

Neural density estimators have proven remarkably powerful in performing efficient simulation-based Bayesian inference in various research domains. In particular, the BayesFlow framework uses a two-step approach to enable amortized parameter estimation in settings where the likelihood function is implicitly defined by a simulation program. But how faithful is such inference when simulations are poor representations of reality? In this paper, we conceptualize the types of model misspecification arising in simulation-based inference and systematically investigate the performance of the BayesFlow framework under these misspecifications. We propose an augmented optimization objective which imposes a probabilistic structure on the latent data space and utilize maximum mean discrepancy (MMD) to detect potentially catastrophic misspecifications during inference undermining the validity of the obtained results. We verify our detection criterion on a number of artificial and realistic misspecifications, ranging from toy conjugate models to complex models of decision making and disease outbreak dynamics applied to real data. Further, we show that posterior inference errors increase as a function of the distance between the true data-generating distribution and the typical set of simulations in the latent summary space. Thus, we demonstrate the dual utility of MMD as a method for detecting model misspecification and as a proxy for verifying the faithfulness of amortized Bayesian inference.

The extragradient method has recently gained increasing attention, due to its convergence behavior on smooth games. In $n$-player differentiable games, the eigenvalues of the Jacobian of the vector field are distributed on the complex plane, exhibiting more convoluted dynamics compared to classical (i.e., single player) minimization. In this work, we take a polynomial-based analysis of the extragradient with momentum for optimizing games with \emph{cross-shaped} Jacobian spectrum on the complex plane. We show two results. First, based on the hyperparameter setup, the extragradient with momentum exhibits three different modes of convergence: when the eigenvalues are distributed $i)$ on the real line, $ii)$ both on the real line along with complex conjugates, and $iii)$ only as complex conjugates. Then, we focus on the case $ii)$, i.e., when the eigenvalues of the Jacobian have \emph{cross-shaped} structure, as observed in training generative adversarial networks. For this problem class, we derive the optimal hyperparameters of the momentum extragradient method, and show that it achieves an accelerated convergence rate.

The rise of big data analytics has automated the decision-making of companies and increased supply chain agility. In this paper, we study the supply chain contract design problem faced by a data-driven supplier who needs to respond to the inventory decisions of the downstream retailer. Both the supplier and the retailer are uncertain about the market demand and need to learn about it sequentially. The goal for the supplier is to develop data-driven pricing policies with sublinear regret bounds under a wide range of possible retailer inventory policies for a fixed time horizon. To capture the dynamics induced by the retailer's learning policy, we first make a connection to non-stationary online learning by following the notion of variation budget. The variation budget quantifies the impact of the retailer's learning strategy on the supplier's decision-making. We then propose dynamic pricing policies for the supplier for both discrete and continuous demand. We also note that our proposed pricing policy only requires access to the support of the demand distribution, but critically, does not require the supplier to have any prior knowledge about the retailer's learning policy or the demand realizations. We examine several well-known data-driven policies for the retailer, including sample average approximation, distributionally robust optimization, and parametric approaches, and show that our pricing policies lead to sublinear regret bounds in all these cases. At the managerial level, we answer affirmatively that there is a pricing policy with a sublinear regret bound under a wide range of retailer's learning policies, even though she faces a learning retailer and an unknown demand distribution. Our work also provides a novel perspective in data-driven operations management where the principal has to learn to react to the learning policies employed by other agents in the system.

This paper revisits the work of Rauch et al. (1965) and develops a novel method for recursive maximum likelihood particle filtering for general state-space models. The new method is based on statistical analysis of incomplete observations of the systems. Score function and conditional observed information of the incomplete observations/data are introduced and their distributional properties are discussed. Some identities concerning the score function and information matrices of the incomplete data are derived. Maximum likelihood estimation of state-vector is presented in terms of the score function and observed information matrices. In particular, to deal with nonlinear state-space, a sequential Monte Carlo method is developed. It is given recursively by an EM-gradient-particle filtering which extends the work of Lange (1995) for state estimation. To derive covariance matrix of state-estimation errors, an explicit form of observed information matrix is proposed. It extends Louis (1982) general formula for the same matrix to state-vector estimation. Under (Neumann) boundary conditions of state transition probability distribution, the inverse of this matrix coincides with the Cramer-Rao lower bound on the covariance matrix of estimation errors of unbiased state-estimator. In the case of linear models, the method shows that the Kalman filter is a fully efficient state estimator whose covariance matrix of estimation error coincides with the Cramer-Rao lower bound. Some numerical examples are discussed to exemplify the main results.  ( 3 min )

Deep neural networks are powerful tools to detect hidden patterns in data and leverage them to make predictions, but they are not designed to understand uncertainty and estimate reliable probabilities. In particular, they tend to be overconfident. We begin to address this problem in the context of multi-class classification by developing a novel training algorithm producing models with more dependable uncertainty estimates, without sacrificing predictive power. The idea is to mitigate overconfidence by minimizing a loss function, inspired by advances in conformal inference, that quantifies model uncertainty by carefully leveraging hold-out data. Experiments with synthetic and real data demonstrate this method can lead to smaller conformal prediction sets with higher conditional coverage, after exact calibration with hold-out data, compared to state-of-the-art alternatives.  ( 2 min )

We introduce a challenging decision-making task that we call active acquisition for multimodal temporal data (A2MT). In many real-world scenarios, input features are not readily available at test time and must instead be acquired at significant cost. With A2MT, we aim to learn agents that actively select which modalities of an input to acquire, trading off acquisition cost and predictive performance. A2MT extends a previous task called active feature acquisition to temporal decision making about high-dimensional inputs. Further, we propose a method based on the Perceiver IO architecture to address A2MT in practice. Our agents are able to solve a novel synthetic scenario requiring practically relevant cross-modal reasoning skills. On two large-scale, real-world datasets, Kinetics-700 and AudioSet, our agents successfully learn cost-reactive acquisition behavior. However, an ablation reveals they are unable to learn to learn adaptive acquisition strategies, emphasizing the difficulty of the task even for state-of-the-art models. Applications of A2MT may be impactful in domains like medicine, robotics, or finance, where modalities differ in acquisition cost and informativeness.  ( 2 min )

Meta learning has demonstrated tremendous success in few-shot learning with limited supervised data. In those settings, the meta model is usually overparameterized. While the conventional statistical learning theory suggests that overparameterized models tend to overfit, empirical evidence reveals that overparameterized meta learning methods still work well -- a phenomenon often called "benign overfitting." To understand this phenomenon, we focus on the meta learning settings with a challenging bilevel structure that we term the gradient-based meta learning, and analyze its generalization performance under an overparameterized meta linear regression model. While our analysis uses the relatively tractable linear models, our theory contributes to understanding the delicate interplay among data heterogeneity, model adaptation and benign overfitting in gradient-based meta learning tasks. We corroborate our theoretical claims through numerical simulations.  ( 2 min )

Machine-Learned Likelihoods (MLL) is a method that, by combining modern machine-learning classification techniques with likelihood-based inference tests, allows to estimate the experimental sensitivity of high-dimensional data sets. We extend the MLL method by including the exclusion hypothesis tests and show that the addition of Kernel Density Estimators avoids the need to bin the classifier output in order to extract the resulting one-dimensional signal and background probability density functions. We first test our method on toy models generated with multivariate Gaussian distributions, where the true probability distribution functions are known. We then apply it to a case of interest in the search for new physics at the HL-LHC, in which a $Z^\prime$ boson decays into lepton pairs, comparing the performance of our method for estimating 95\% CL exclusion limits to the results obtained applying a binned likelihood to the machine-learning classifier output.  ( 2 min )

A key challenge in science and engineering is to design experiments to learn about some unknown quantity of interest. Classical experimental design optimally allocates the experimental budget to maximize a notion of utility (e.g., reduction in uncertainty about the unknown quantity). We consider a rich setting, where the experiments are associated with states in a {\em Markov chain}, and we can only choose them by selecting a {\em policy} controlling the state transitions. This problem captures important applications, from exploration in reinforcement learning to spatial monitoring tasks. We propose an algorithm -- \textsc{markov-design} -- that efficiently selects policies whose measurement allocation \emph{provably converges to the optimal one}. The algorithm is sequential in nature, adapting its choice of policies (experiments) informed by past measurements. In addition to our theoretical analysis, we showcase our framework on applications in ecological surveillance and pharmacology.  ( 2 min )

Modern statistical learning algorithms are capable of amazing flexibility, but struggle with interpretability. One possible solution is sparsity: making inference such that many of the parameters are estimated as being identically 0, which may be imposed through the use of nonsmooth penalties such as the $\ell_1$ penalty. However, the $\ell_1$ penalty introduces significant bias when high sparsity is desired. In this article, we retain the $\ell_1$ penalty, but define learnable penalty weights $\lambda_p$ endowed with hyperpriors. We start the article by investigating the optimization problem this poses, developing a proximal operator associated with the $\ell_1$ norm. We then study the theoretical properties of this variable-coefficient $\ell_1$ penalty in the context of penalized likelihood. Next, we investigate application of this penalty to Variational Bayes, developing a model we call the Sparse Bayesian Lasso which allows for behavior qualitatively like Lasso regression to be applied to arbitrary variational models. In simulation studies, this gives us the Uncertainty Quantification and low bias properties of simulation-based approaches with an order of magnitude less computation. Finally, we apply our methodology to a Bayesian lagged spatiotemporal regression model of internal displacement that occurred during the Iraqi Civil War of 2013-2017.  ( 2 min )

We introduce and study a novel model-selection strategy for Bayesian learning, based on optimal transport, along with its associated predictive posterior law: the Wasserstein population barycenter of the posterior law over models. We first show how this estimator, termed Bayesian Wasserstein barycenter (BWB), arises naturally in a general, parameter-free Bayesian model-selection framework, when the considered Bayesian risk is the Wasserstein distance. Examples are given, illustrating how the BWB extends some classic parametric and non-parametric selection strategies. Furthermore, we also provide explicit conditions granting the existence and statistical consistency of the BWB, and discuss some of its general and specific properties, providing insights into its advantages compared to usual choices, such as the model average estimator. Finally, we illustrate how this estimator can be computed using the stochastic gradient descent (SGD) algorithm in Wasserstein space introduced in a companion paper arXiv:2201.04232v2 [math.OC], and provide a numerical example for experimental validation of the proposed method.  ( 2 min )

Virtual, make-on-demand chemical libraries have transformed early-stage drug discovery by unlocking vast, synthetically accessible regions of chemical space. Recent years have witnessed rapid growth in these libraries from millions to trillions of compounds, hiding undiscovered, potent hits for a variety of therapeutic targets. However, they are quickly approaching a size beyond that which permits explicit enumeration, presenting new challenges for virtual screening. To overcome these challenges, we propose the Combinatorial Synthesis Library Variational Auto-Encoder (CSLVAE). The proposed generative model represents such libraries as a differentiable, hierarchically-organized database. Given a compound from the library, the molecular encoder constructs a query for retrieval, which is utilized by the molecular decoder to reconstruct the compound by first decoding its chemical reaction and subsequently decoding its reactants. Our design minimizes autoregression in the decoder, facilitating the generation of large, valid molecular graphs. Our method performs fast and parallel batch inference for ultra-large synthesis libraries, enabling a number of important applications in early-stage drug discovery. Compounds proposed by our method are guaranteed to be in the library, and thus synthetically and cost-effectively accessible. Importantly, CSLVAE can encode out-of-library compounds and search for in-library analogues. In experiments, we demonstrate the capabilities of the proposed method in the navigation of massive combinatorial synthesis libraries.  ( 2 min )

In many applications, it is of interest to identify a parsimonious set of features, or panel, from multiple candidates that achieves a desired level of performance in predicting a response. This task is often complicated in practice by missing data arising from the sampling design or other random mechanisms. Most recent work on variable selection in missing data contexts relies in some part on a finite-dimensional statistical model, e.g., a generalized or penalized linear model. In cases where this model is misspecified, the selected variables may not all be truly scientifically relevant and can result in panels with suboptimal classification performance. To address this limitation, we propose a nonparametric variable selection algorithm combined with multiple imputation to develop flexible panels in the presence of missing-at-random data. We outline strategies based on the proposed algorithm that achieve control of commonly used error rates. Through simulations, we show that our proposal has good operating characteristics and results in panels with higher classification and variable selection performance compared to several existing penalized regression approaches in cases where a generalized linear model is misspecified. Finally, we use the proposed method to develop biomarker panels for separating pancreatic cysts with differing malignancy potential in a setting where complicated missingness in the biomarkers arose due to limited specimen volumes.  ( 3 min )

The goal of model compression is to reduce the size of a large neural network while retaining a comparable performance. As a result, computation and memory costs in resource-limited applications may be significantly reduced by dropping redundant weights, neurons, or layers. There have been many model compression algorithms proposed that provide impressive empirical success. However, a theoretical understanding of model compression is still limited. One problem is understanding if a network is more compressible than another of the same structure. Another problem is quantifying how much one can prune a network with theoretically guaranteed accuracy degradation. In this work, we propose to use the sparsity-sensitive $\ell_q$-norm ($0<q<1$) to characterize compressibility and provide a relationship between soft sparsity of the weights in the network and the degree of compression with a controlled accuracy degradation bound. We also develop adaptive algorithms for pruning each neuron in the network informed by our theory. Numerical studies demonstrate the promising performance of the proposed methods compared with standard pruning algorithms.  ( 2 min )

So like, I've been trying to find some sort of art ai that can grab two or more images as references to make new art from (opposed to the ones that create art from text prompts). There is artbreeder, but that one is kinda limiting with uploads and everything, and I haven't been able to find anything good. can you guys help me out by chance? submitted by /u/XCanadienGamerX [link] [comments]  ( 46 min )

Back around the GPT-2 and BERT days, model distillation was a big topic and almost always followed the release of a new model. These days however, it seems to be less prevalent in newer projects. Have groups largely abandoned model distillation? submitted by /u/holamyeung [link] [comments]  ( 46 min )

I've been playing around with AI art generators and was wondering if there are any generators with no restrictions and are free-to-use with decent speed and image quality. Please tell me about any AI art generators that have no restrictions, payment, are free-to-use, have good picture quality, and good generating speed because I'd like to now. Will satisfy me. submitted by /u/DravinRaven [link] [comments]  ( 46 min )

Hey Machine Learning Engineers 👋, we are Kermit.ai and our mission is to become the world’s “go to” platform for NLP researchers and practitioners to accelerate and simplify their machine learning data management process. You struggle over data annotation? We got you covered. You suffer from biased data? We got you covered. You have trouble versioning your data? Guess what.. we got you covered. ​ https://preview.redd.it/rdm7tciac6z91.jpg?width=500&format=pjpg&auto=webp&s=1f61c0f9d489ceb9d02a3537a107ffe94b508882 Kermit.ai supports you throughout the entire ML Data Management Process: Managing Data Annotating Data Preparing Data Identifying Outliers in Data Visualizing, Curating and Searching Data Visit us at kermit.ai to sign up for the waitlist and learn more. Keep engineering 🧑🏽‍💻, Kermit submitted by /u/kermitai [link] [comments]  ( 45 min )

Hi redditors, I need your help about an assignment for my university. It should be 10 to 20 pages long, with 50% of theoretic and 50% of practical content (statistics, case studies, dissemination of knowledge). How would you build up the structure of my work? submitted by /u/MorWa01 [link] [comments]  ( 46 min )

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I heard that AI can predict the stock market but I have no idea how to get there, can someone please help me? submitted by /u/SandraPlugged [link] [comments]  ( 44 min )

submitted by /u/Tao_Dragon [link] [comments]  ( 48 min )

A new and more efficient way of modeling and designing power electronic converters using artificial intelligence (AI) has been created by a team of experts from Cardiff University and the Compound Semiconductor Applications (CSA) Catapult. The method has reduced design times for technology by up to 78% compared to traditional approaches and was used to create a device with an efficiency of over 98%. The team's findings have been published in the IEEE Open Journal of Power Electronics and IEEE Transactions on Power Electronics. A power converter is an electrical device for converting electrical energy. It can convert alternating current (AC) into direct current (DC) and vice versa or change the voltage or frequency of a current. Power converters are used in a wide range of technologies, …  ( 46 min )

Now a days, most people are familiar with AI voice assistants and use this technology in their day-to-day life. Recently at Google’s I/O 2018 event, they demonstrated a phone call conversation between the google assistant and a real person. The reason behind the realistic conversation is, of course, the intelligence but also the voice of the AI. The technology used to create a similar realistic voice is called Speed synthesis. In this article, we will be discussing one of the speech synthesis algorithms and try to learn about the architecture and working of the neural vocoder. Following are the topics to be covered. https://analyticsindiamag.com/neural-vocoder-and-its-application-in-speech-recognition/ submitted by /u/analyticsindiam [link] [comments]  ( 49 min )

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Hey everyone, PI.EXCHANGE is developing an AutoML tool to help our users identify which of their customers are likely to leave their business. Ideally you are: Familiar with tabular data for customer transactions Have basic understanding about customer relationship management in the banking, retail, ecommerce, etc. industries If you're interested, please sign-up via this link https://www.pi.exchange/usability-testing-churn-prototype https://preview.redd.it/y1gwfuo002z91.png?width=1200&format=png&auto=webp&s=2509b11d838d30851fcfdaba04bbdf215b84861f submitted by /u/PIEXCHANGE [link] [comments]  ( 49 min )

submitted by /u/ai-lover [link] [comments]  ( 47 min )

submitted by /u/ai-lover [link] [comments]  ( 46 min )

Deodel implements in Python a classifier algorithm with native support for mixed attributes data. It features good accuracy and versatility. It is available at: https://github.com/c4pub/deodel submitted by /u/usrideas [link] [comments]  ( 59 min )

Hi all, I'm on the first years of my PhD in Computer Vision and obviously the vast majority of research in it is nowadays using Deep Learning techniques. I like to think that I'm far from an absolute beginner in the sense that: I've trained neural networks and more "traditional" ML models in a couple of courses, as well as for my MSc thesis, albeit almost out-of-the-box stuff. I have a decent understanding of Linear Algebra, Calculus and Probability Theory (undergrad courses from CS degree). I say "decent" because I'm of the firm opinion that the more math one knows the more impressive the things they can do in AI, so I really don't consider myself a math whiz, but judging from the math knowledge an average "How to get started with Deep Learning" blog post assumes, I'd say I'm well ah…  ( 65 min )

I have to work on a chest X-ray dataset where the objective is to perform object localization of abnormalities present in the chest. The only problem is I do not have the annotations for the images. However, I do have the radiology report for each chest image. Can you suggest how can I proceed further with my project? Thank you submitted by /u/AJ521432 [link] [comments]  ( 61 min )

Hi all, I will be careful not the use the term "confidence" to keep the goal clear and not confuse with confidence interval or predictions. I have two sources of data. One very reliable (experimental), and another source less so, but still carries useful information. Is it possible to feed the entirety of the data to an algorithm while specifying a certain "trust" or "reliability" in the data source? The goal being putting more weight on the reliable source, while still picking up some hidden patterns from the second source? submitted by /u/DreamyPen [link] [comments]  ( 61 min )

I have a binary classification problem, where I have 2 methods. Method A: This method is 100% precise, but has low recall Method B: It has a way higher recall, but lower precision. I was thinking of using the samples from method A to estimate a False-Positive rate for method B, but how to do that? Any way to estimate the false positive rate here? submitted by /u/pedromnasc [link] [comments]  ( 61 min )

Hi everybody, here is the complete relabelling of the COCO 2017 dataset for segmentation. This is all free of charge, un-gated, and was done by Sama, a labelling company for CV data. The dataset is available on the Sama website under a Creative Commons license: https://www.sama.com/sama-coco-dataset/. I would also love to hear any feedback. Disclaimer: I work for Sama submitted by /u/iknowjerome [link] [comments]  ( 57 min )

Explore the connection between diffusion models and optimal control 🔥 📖 Paper 🎙Come to our oral at the NeurIPS workshop on score-based methods and let’s discuss how one field can benefit from the other. https://preview.redd.it/6kc1yvz1i4z91.png?width=2852&format=png&auto=webp&s=b6049a8901adc7077d3cfe51508fee70c8133a97 Highlights: 1️⃣ Log-density of the underlying SDE satisfies a HJB equation. 2️⃣ ELBO follows directly from the verification theorem. 3️⃣ Diffusion-based approach to sample from (unnormalized) densities. ...and more to come! submitted by /u/julbern [link] [comments]  ( 62 min )

I am working on a project which requires me to consolidate the representations of several vectors of different shapes. Is there any alternative method to padding that can be used for this? submitted by /u/GrammarPaparazzi [link] [comments]  ( 66 min )

Hi folks! When we created this brand new category 3 years ago nobody knew what the heck a vector database is. Now as it becoming a less strange term and gaining more interest every day, we hear many more interested people asking about what it is and how it's different. So here it is, (dramatic pause) the ultimate guide served with the latest paper! In the tutorial, we answered 3 (power of three!) most commonly asked questions about vector database: What is a vector database? How does it compare to vector search libraries / ANN libraries like FAISS, ScaNN, and HNSW? How does it compare to vector search plugins, such as ClickHouse and Elasticsearch? Link to tutorial: https://zilliz.com/learn/what-is-vector-database Link to paper for architectural scoop: https://arxiv.org/abs/2206.13843 If you like what you see and fancy more, check out the Vector Database 101 series that's being updated on a weekly basis. Enjoy! submitted by /u/claireyuw [link] [comments]  ( 58 min )

Glad to share our our open-source work: LiBai, which is a large-scale open-source model training toolbox based on OneFlow, the biggest feature of the library is allows users to easily training any model in parallel. Github links: https://github.com/Oneflow-Inc/libai. LiBai Document: https://libai.readthedocs.io/en/latest/tutorials/get_started/Installation.html. Model Zoo Support 3D-parallel (data parallel + tensor parallel + pipeline parallel) Models: - Bert, GPT2, T5, Vision Transformer, Swin Transformer, ResMLP, Roberta. And there are more Projects in LiBai. Characteristics of LiBai LiBai gets better Throughouts compared to Megatron, refer to Benchmark for more details 3-D Parallel BERT LiBai Megatron nl24_fp16_2x2x4_ac_mb128_gb2048_2n8g 267.39 samples/s 233.7 samples…  ( 58 min )

This post was co-authored by Arun Gupta, the Director of Business Intelligence at Prodege, LLC. Prodege is a data-driven marketing and consumer insights platform comprised of consumer brands—Swagbucks, MyPoints, Tada, ySense, InboxDollars, InboxPounds, DailyRewards, PollFish, and Upromise—along with a complementary suite of business solutions for marketers and researchers. Prodege has 120 million users and has […]  ( 7 min )

Business analysts work with data and like to analyze, explore, and understand data to achieve effective business outcomes. To address business problems, they often rely on machine learning (ML) practitioners such as data scientists to assist with techniques such as utilizing ML to build models using existing data and generate predictions. However, it isn’t always […]  ( 8 min )

Hi I'm wanna learn the backpropgation algorithm from end to end. That is to understand all the steps on the way include: Taylor series approximation of function at least in high level SGD and why going in the contrast way to the gradient is the right decision The different stages of the propogation Does anyone has a recommended resource for that? Thanks submitted by /u/yehuda1033 [link] [comments]  ( 46 min )

Posted by Jason Wei and Yi Tay, Research Scientists, Google Research, Brain Team The field of natural language processing (NLP) has been revolutionized by language models trained on large amounts of text data. Scaling up the size of language models often leads to improved performance and sample efficiency on a range of downstream NLP tasks. In many cases, the performance of a large language model can be predicted by extrapolating the performance trend of smaller models. For instance, the effect of scale on language model perplexity has been empirically shown to span more than seven orders of magnitude. On the other hand, performance for certain other tasks does not improve in a predictable fashion. For example, the GPT-3 paper showed that the ability of language models to perform mult…  ( 91 min )

Researchers make headway in solving a longstanding problem of balancing curious “exploration” versus “exploitation” of known pathways in reinforcement learning.  ( 10 min )

When legendary computer scientist Jim Gray accepted the Turing Award in 1999, he laid out a dozen long-range information technology research goals. One of those goals called for the creation of trouble-free server systems or, in Gray’s words, to “build a system used by millions of people each day and yet administered and managed by […] The post Cloud Intelligence/AIOps – Infusing AI into Cloud Computing Systems appeared first on Microsoft Research.  ( 14 min )

The holiday season is approaching, and GeForce NOW has everyone covered. This GFN Thursday brings an easy way to give the gift of gaming with GeForce NOW gift cards, for yourself or for a gamer in your life. Plus, stream 10 new games from the cloud this week, including the first story downloadable content (DLC) Read article > The post Give the Gift of Gaming With GeForce NOW Gift Cards appeared first on NVIDIA Blog.  ( 5 min )

Straight lines on a globe are not straight on a map, and straight lines on a map are not straight on a globe. A straight line on a globe is an arc of a great circle, the shortest path between two points. When projected onto a map, a straight path looks curved. Here’s an image […] Straight on a map or straight on a globe? first appeared on John D. Cook.  ( 5 min )

I am looking for US Ph.D. programs to apply to for Fall 2023. Does anyone know which universities have labs that are actively doing research in RL? Of course I am not talking about Unis such as CMU or Stanford, because my CV is probably not good enough for them. P.S. There is a post on the subject, but it's 4 years old: https://www.reddit.com/r/reinforcementlearning/comments/9cx9xw/grad_schools_with_good_programs_for_someone/?utm_source=share&utm_medium=android_app&utm_name=androidcss&utm_term=1&utm_content=share_button submitted by /u/QuestHunter123 [link] [comments]  ( 53 min )

Is there a way to define n-step returns in stable baseline PPO algorithm? For instance, I want to choose 3 step, 5 step etc, how do I input these parameters in the model itself before training? Thank you ​ EDIT: Is it done by controlling the value of lambda? For instance if lambda equals 0 it will weight more towards the 1 step return and if lambda equals 1, it will weight more towards long-term returns ? submitted by /u/Playful_Shop_8165 [link] [comments]  ( 53 min )

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Companies need to collect huge volumes of data produced to extract valuable insights via data analysis to survive, let alone thrive in the competitive marketplace. It is the lifeblood of most business decisions, functions, and processes. But the process of data collection can be highly challenging for many organizations. The post Want Greater Business Efficiency? Map Your Smart Data Transformation Journey appeared first on Data Science Central.  ( 21 min )

Many scientific domains gather sufficient labels to train machine algorithms through human-in-the-loop techniques provided by the Zooniverse.org citizen science platform. As the range of projects, task types and data rates increase, acceleration of model training is of paramount concern to focus volunteer effort where most needed. The application of Transfer Learning (TL) between Zooniverse projects holds promise as a solution. However, understanding the effectiveness of TL approaches that pretrain on large-scale generic image sets vs. images with similar characteristics possibly from similar tasks is an open challenge. We apply a generative segmentation model on two Zooniverse project-based data sets: (1) to identify fat droplets in liver cells (FatChecker; FC) and (2) the identification of kelp beds in satellite images (Floating Forests; FF) through transfer learning from the first project. We compare and contrast its performance with a TL model based on the COCO image set, and subsequently with baseline counterparts. We find that both the FC and COCO TL models perform better than the baseline cases when using >75% of the original training sample size. The COCO-based TL model generally performs better than the FC-based one, likely due to its generalized features. Our investigations provide important insights into usage of TL approaches on multi-domain data hosted across different Zooniverse projects, enabling future projects to accelerate task completion.  ( 3 min )

This paper studies reinforcement learning (RL) in doubly inhomogeneous environments under temporal non-stationarity and subject heterogeneity. In a number of applications, it is commonplace to encounter datasets generated by system dynamics that may change over time and population, challenging high-quality sequential decision making. Nonetheless, most existing RL solutions require either temporal stationarity or subject homogeneity, which would result in sub-optimal policies if both assumptions were violated. To address both challenges simultaneously, we propose an original algorithm to determine the ``best data chunks" that display similar dynamics over time and across individuals for policy learning, which alternates between most recent change point detection and cluster identification. Our method is general, and works with a wide range of clustering and change point detection algorithms. It is multiply robust in the sense that it takes multiple initial estimators as input and only requires one of them to be consistent. Moreover, by borrowing information over time and population, it allows us to detect weaker signals and has better convergence properties when compared to applying the clustering algorithm per time or the change point detection algorithm per subject. Empirically, we demonstrate the usefulness of our method through extensive simulations and a real data application.  ( 2 min )

Federated learning (FL) on deep neural networks facilitates new applications at the edge, especially for wearable and Internet-of-Thing devices. Such devices capture a large and diverse amount of data, but they have memory, compute, power, and connectivity constraints which hinder their participation in FL. We propose Centaur, a multitier FL framework, enabling ultra-constrained devices to efficiently participate in FL on large neural nets. Centaur combines two major ideas: (i) a data selection scheme to choose a portion of samples that accelerates the learning, and (ii) a partition-based training algorithm that integrates both constrained and powerful devices owned by the same user. Evaluations, on four benchmark neural nets and three datasets, show that Centaur gains ~10% higher accuracy than local training on constrained devices with ~58% energy saving on average. Our experimental results also demonstrate the superior efficiency of Centaur when dealing with imbalanced data, client participation heterogeneity, and various network connection probabilities.  ( 2 min )

The problem of approximating the Pareto front of a multiobjective optimization problem can be reformulated as the problem of finding a set that maximizes the hypervolume indicator. This paper establishes the analytical expression of the Hessian matrix of the mapping from a (fixed size) collection of $n$ points in the $d$-dimensional decision space (or $m$ dimensional objective space) to the scalar hypervolume indicator value. To define the Hessian matrix, the input set is vectorized, and the matrix is derived by analytical differentiation of the mapping from a vectorized set to the hypervolume indicator. The Hessian matrix plays a crucial role in second-order methods, such as the Newton-Raphson optimization method, and it can be used for the verification of local optimal sets. So far, the full analytical expression was only established and analyzed for the relatively simple bi-objective case. This paper will derive the full expression for arbitrary dimensions ($m\geq2$ objective functions). For the practically important three-dimensional case, we also provide an asymptotically efficient algorithm with time complexity in $O(n\log n)$ for the exact computation of the Hessian Matrix' non-zero entries. We establish a sharp bound of $12m-6$ for the number of non-zero entries. Also, for the general $m$-dimensional case, a compact recursive analytical expression is established, and its algorithmic implementation is discussed. Also, for the general case, some sparsity results can be established; these results are implied by the recursive expression. To validate and illustrate the analytically derived algorithms and results, we provide a few numerical examples using Python and Mathematica implementations. Open-source implementations of the algorithms and testing data are made available as a supplement to this paper.  ( 3 min )

Graph Neural Networks (GNNs) have achieved great successes in many learning tasks performed on graph structures. Nonetheless, to propagate information GNNs rely on a message passing scheme which can become prohibitively expensive when working with industrial-scale graphs. Inspired by the PPRGo model, we propose the CorePPR model, a scalable solution that utilises a learnable convex combination of the approximate personalised PageRank and the CoreRank to diffuse multi-hop neighbourhood information in GNNs. Additionally, we incorporate a dynamic mechanism to select the most influential neighbours for a particular node which reduces training time while preserving the performance of the model. Overall, we demonstrate that CorePPR outperforms PPRGo, particularly on large graphs where selecting the most influential nodes is particularly relevant for scalability. Our code is publicly available at: https://github.com/arielramos97/CorePPR.  ( 2 min )

We focus on causal discovery in the presence of measurement error in linear systems where the mixing matrix, i.e., the matrix indicating the independent exogenous noise terms pertaining to the observed variables, is identified up to permutation and scaling of the columns. We demonstrate a somewhat surprising connection between this problem and causal discovery in the presence of unobserved parentless causes, in the sense that there is a mapping, given by the mixing matrix, between the underlying models to be inferred in these problems. Consequently, any identifiability result based on the mixing matrix for one model translates to an identifiability result for the other model. We characterize to what extent the causal models can be identified under a two-part faithfulness assumption. Under only the first part of the assumption (corresponding to the conventional definition of faithfulness), the structure can be learned up to the causal ordering among an ordered grouping of the variables but not all the edges across the groups can be identified. We further show that if both parts of the faithfulness assumption are imposed, the structure can be learned up to a more refined ordered grouping. As a result of this refinement, for the latent variable model with unobserved parentless causes, the structure can be identified. Based on our theoretical results, we propose causal structure learning methods for both models, and evaluate their performance on synthetic data.  ( 3 min )

AI methods are used in societally important settings, ranging from credit to employment to housing, and it is crucial to provide fairness in regard to algorithmic decision making. Moreover, many settings are dynamic, with populations responding to sequential decision policies. We introduce the study of reinforcement learning (RL) with stepwise fairness constraints, requiring group fairness at each time step. Our focus is on tabular episodic RL, and we provide learning algorithms with strong theoretical guarantees in regard to policy optimality and fairness violation. Our framework provides useful tools to study the impact of fairness constraints in sequential settings and brings up new challenges in RL.  ( 2 min )

The past few years have seen rapid progress in combining reinforcement learning (RL) with deep learning. Various breakthroughs ranging from games to robotics have spurred the interest in designing sophisticated RL algorithms and systems. However, the prevailing workflow in RL is to learn tabula rasa, which may incur computational inefficiency. This precludes continuous deployment of RL algorithms and potentially excludes researchers without large-scale computing resources. In many other areas of machine learning, the pretraining paradigm has shown to be effective in acquiring transferable knowledge, which can be utilized for a variety of downstream tasks. Recently, we saw a surge of interest in Pretraining for Deep RL with promising results. However, much of the research has been based on different experimental settings. Due to the nature of RL, pretraining in this field is faced with unique challenges and hence requires new design principles. In this survey, we seek to systematically review existing works in pretraining for deep reinforcement learning, provide a taxonomy of these methods, discuss each sub-field, and bring attention to open problems and future directions.  ( 2 min )

Pooling publicly-available MRI data from multiple sites allows to assemble extensive groups of subjects, increase statistical power, and promote data reuse with machine learning techniques. The harmonization of multicenter data is necessary to reduce the confounding effect associated with non-biological sources of variability in the data. However, when applied to the entire dataset before machine learning, the harmonization leads to data leakage, because information outside the training set may affect model building, and potentially falsely overestimate performance. We propose a 1) measurement of the efficacy of data harmonization; 2) harmonizer transformer, i.e., an implementation of the ComBat harmonization allowing its encapsulation among the preprocessing steps of a machine learning pipeline, avoiding data leakage. We tested these tools using brain T1-weighted MRI data from 1740 healthy subjects acquired at 36 sites. After harmonization, the site effect was removed or reduced, and we measured the data leakage effect in predicting individual age from MRI data, highlighting that introducing the harmonizer transformer into a machine learning pipeline allows for avoiding data leakage.

We provide the first sub-linear space and sub-linear regret algorithm for online learning with expert advice (against an oblivious adversary), addressing an open question raised recently by Srinivas, Woodruff, Xu and Zhou (STOC 2022). We also demonstrate a separation between oblivious and (strong) adaptive adversaries by proving a linear memory lower bound of any sub-linear regret algorithm against an adaptive adversary. Our algorithm is based on a novel pool selection procedure that bypasses the traditional wisdom of leader selection for online learning, and a generic reduction that transforms any weakly sub-linear regret $o(T)$ algorithm to $T^{1-\alpha}$ regret algorithm, which may be of independent interest. Our lower bound utilizes the connection of no-regret learning and equilibrium computation in zero-sum games, leading to a proof of a strong lower bound against an adaptive adversary.

In pursuit of faster computation, Efficient Transformers demonstrate an impressive variety of approaches -- models attaining sub-quadratic attention complexity can utilize a notion of sparsity or a low-rank approximation of inputs to reduce the number of attended keys; other ways to reduce complexity include locality-sensitive hashing, key pooling, additional memory to store information in compacted or hybridization with other architectures, such as CNN. Often based on a strong mathematical basis, kernelized approaches allow for the approximation of attention with linear complexity while retaining high accuracy. Therefore, in the present paper, we aim to expand the idea of trainable kernel methods to approximate the self-attention mechanism of the Transformer architecture.  ( 2 min )

Most semantic communication systems leverage deep learning models to provide end-to-end transmission performance surpassing the established source and channel coding approaches. While, so far, research has mainly focused on architecture and model improvements, but such a model trained over a full dataset and ergodic channel responses is unlikely to be optimal for every test instance. Due to limitations on the model capacity and imperfect optimization and generalization, such learned models will be suboptimal especially when the testing data distribution or channel response is different from that in the training phase, as is likely to be the case in practice. To tackle this, in this paper, we propose a novel semantic communication paradigm by leveraging the deep learning model's overfitting property. Our model can for instance be updated after deployment, which can further lead to substantial gains in terms of the transmission rate-distortion (RD) performance. This new system is named adaptive semantic communication (ASC). In our ASC system, the ingredients of wireless transmitted stream include both the semantic representations of source data and the adapted decoder model parameters. Specifically, we take the overfitting concept to the extreme, proposing a series of ingenious methods to adapt the semantic codec or representations to an individual data or channel state instance. The whole ASC system design is formulated as an optimization problem whose goal is to minimize the loss function that is a tripartite tradeoff among the data rate, model rate, and distortion terms. The experiments (including user study) verify the effectiveness and efficiency of our ASC system. Notably, the substantial gain of our overfitted coding paradigm can catalyze semantic communication upgrading to a new era.

Advanced LIGO and Advanced Virgo ground-based interferometers are poised to probe an unprecedentedly large volume of space, enhancing the discovery power of the observations to even new sources of gravitational wave emitters. In this scenario, the development of highly optimized gravitational wave detection algorithms is crucial. We propose a novel layered framework for real-time detection of gravitational waves inspired by speech processing techniques and, in the present implementation, based on a state-of-the-art machine learning approach involving a hybridization of genetic programming and neural networks. The key aspects of the newly proposed framework are: the well structured, layered approach, and the low computational complexity. The paper describes the basic concepts of the framework and the derivation of the first three layers. Even if, in the present implementation, the layers are based on models derived using a machine learning approach, the proposed layered structure has a universal nature. To train and test the models, we used simulated binary black hole gravitational wave waveforms in synthetic Gaussian noise representative of Advanced LIGO sensitivity design. Compared to more complex approaches, such as convolutional neural networks, our framework, even using the simple ground model described in the paper, has only a slightly lower performance, but with a much lower computational complexity and a higher degree of modularity. Furthermore, the underlying exploitation of short-term features makes the results of the new framework virtually independent against time-position of gravitational wave signals, simplifying its future exploitation in real-time multi-layer pipelines for gravitational-wave detection with second generation interferometers.

Hierarchical time series are common in several applied fields. Forecasts are required to be coherent, that is, to satisfy the constraints given by the hierarchy. The most popular technique to enforce coherence is called reconciliation, which adjusts the base forecasts computed for each time series. However, recent works on probabilistic reconciliation present several limitations. In this paper, we propose a new approach based on conditioning to reconcile any type of forecast distribution. We then introduce a new algorithm, called Bottom-Up Importance Sampling, to efficiently sample from the reconciled distribution. It can be used for any base forecast distribution: discrete, continuous, or in the form of samples, providing a major speedup compared to the current methods. Experiments on several temporal hierarchies show a significant improvement over base probabilistic forecasts.

Hybrid FSO/RF system requires an efficient FSO and RF link switching mechanism to improve the system capacity by realizing the complementary benefits of both the links. The dynamics of network conditions, such as fog, dust, and sand storms compound the link switching problem and control complexity. To address this problem, we initiate the study of deep reinforcement learning (DRL) for link switching of hybrid FSO/RF systems. Specifically, in this work, we focus on actor-critic called Actor/Critic-FSO/RF and Deep-Q network (DQN) called DQN-FSO/RF for FSO/RF link switching under atmospheric turbulences. To formulate the problem, we define the state, action, and reward function of a hybrid FSO/RF system. DQN-FSO/RF frequently updates the deployed policy that interacts with the environment in a hybrid FSO/RF system, resulting in high switching costs. To overcome this, we lift this problem to ensemble consensus-based representation learning for deep reinforcement called DQNEnsemble-FSO/RF. The proposed novel DQNEnsemble-FSO/RF DRL approach uses consensus learned features representations based on an ensemble of asynchronous threads to update the deployed policy. Experimental results corroborate that the proposed DQNEnsemble-FSO/RF's consensus-learned features switching achieves better performance than Actor/Critic-FSO/RF, DQN-FSO/RF, and MyOpic for FSO/RF link switching while keeping the switching cost significantly low.

We focus on an unloading problem, typical of the logistics sector, modeled as a sequential pick-and-place task. In this type of task, modern machine learning techniques have shown to work better than classic systems since they are more adaptable to stochasticity and better able to cope with large uncertainties. More specifically, supervised and imitation learning have achieved outstanding results in this regard, with the shortcoming of requiring some form of supervision which is not always obtainable for all settings. On the other hand, reinforcement learning (RL) requires much milder form of supervision but still remains impracticable due to its inefficiency. In this paper, we propose and theoretically motivate a novel Unsupervised Reward Shaping algorithm from expert's observations which relaxes the level of supervision required by the agent and works on improving RL performance in our task.

We present state advantage weighting for offline reinforcement learning (RL). In contrast to action advantage $A(s,a)$ that we commonly adopt in QSA learning, we leverage state advantage $A(s,s^\prime)$ and QSS learning for offline RL, hence decoupling the action from values. We expect the agent can get to the high-reward state and the action is determined by how the agent can get to that corresponding state. Experiments on D4RL datasets show that our proposed method can achieve remarkable performance against the common baselines. Furthermore, our method shows good generalization capability when transferring from offline to online.

In data-parallel optimization of machine learning models, workers collaborate to improve their estimates of the model: more accurate gradients allow them to use larger learning rates and optimize faster. We consider the setting in which all workers sample from the same dataset, and communicate over a sparse graph (decentralized). In this setting, current theory fails to capture important aspects of real-world behavior. First, the 'spectral gap' of the communication graph is not predictive of its empirical performance in (deep) learning. Second, current theory does not explain that collaboration enables larger learning rates than training alone. In fact, it prescribes smaller learning rates, which further decrease as graphs become larger, failing to explain convergence in infinite graphs. This paper aims to paint an accurate picture of sparsely-connected distributed optimization when workers share the same data distribution. We quantify how the graph topology influences convergence in a quadratic toy problem and provide theoretical results for general smooth and (strongly) convex objectives. Our theory matches empirical observations in deep learning, and accurately describes the relative merits of different graph topologies.

Multi-label classification is becoming increasingly ubiquitous, but not much attention has been paid to interpretability. In this paper, we develop a multi-label classifier that can be represented as a concise set of simple "if-then" rules, and thus, it offers better interpretability compared to black-box models. Notably, our method is able to find a small set of relevant patterns that lead to accurate multi-label classification, while existing rule-based classifiers are myopic and wasteful in searching rules,requiring a large number of rules to achieve high accuracy. In particular, we formulate the problem of choosing multi-label rules to maximize a target function, which considers not only discrimination ability with respect to labels, but also diversity. Accounting for diversity helps to avoid redundancy, and thus, to control the number of rules in the solution set. To tackle the said maximization problem we propose a 2-approximation algorithm, which relies on a novel technique to sample high-quality rules. In addition to our theoretical analysis, we provide a thorough experimental evaluation, which indicates that our approach offers a trade-off between predictive performance and interpretability that is unmatched in previous work.

Recent advances in spatial omics methods enable the molecular composition of human tumors to be imaged at micron-scale resolution across hundreds of patients and ten to thousands of molecular imaging channels. Large-scale molecular imaging datasets offer a new opportunity to understand how the spatial organization of proteins and cell types within a tumor modulate the response of a patient to different therapeutic strategies and offer potential insights into the design of novel therapies to increase patient response. However, spatial omics datasets require computational analysis methods that can scale to incorporate hundreds to thousands of imaging channels (ie colors) while enabling the extraction of molecular patterns that correlate with treatment responses across large number of patients with potentially heterogeneous tumors presentations. Here, we have develop a machine learning strategy for the identification and design of signaling molecule combinations that predict the degree of immune system engagement with a specific patient tumors. We specifically train a classifier to predict T cell distribution in patient tumors using the images from 30-40 molecular imaging channels. Second, we apply a gradient descent based counterfactual reasoning strategy to the classifier and discover combinations of signaling molecules predicted to increase T cell infiltration. Applied to spatial proteomics data of melanoma tumor, our model predicts that increasing the level of CXCL9, CXCL10, CXCL12, CCL19 and decreasing the level of CCL8 in melanoma tumor will increase T cell infiltration by 10-fold across a cohort of 69 patients. The model predicts that the combination is many fold more effective than single target perturbations. Our work provides a paradigm for machine learning based prediction and design of cancer therapeutics based on classification of immune system activity in spatial omics data.

This paper shows the implementation of reinforcement learning (RL) in commercial flowsheet simulator software (Aspen Plus V12) for designing and optimising a distillation sequence. The aim of the SAC agent was to separate a hydrocarbon mixture in its individual components by utilising distillation. While doing so it tries to maximise the profit produced by the distillation sequence. All actions of the agent were set by the SAC agent in Python and communicated in Aspen Plus via an API. Here the distillation column was simulated by use of the build-in RADFRAC column. With this a connection was established for data transfer between Python and Aspen and the agent succeeded to show learning behaviour, while increasing profit. Although results were generated, the use of Aspen was slow (190 hours) and Aspen was found unsuitable for parallelisation. This makes that Aspen is incompatible for solving RL problems. Code and thesis are available at https://github.com/lollcat/Aspen-RL

Diffusion probabilistic models have been recently used in a variety of tasks, including speech enhancement and synthesis. As a generative approach, diffusion models have been shown to be especially suitable for imputation problems, where missing data is generated based on existing data. Phase retrieval is inherently an imputation problem, where phase information has to be generated based on the given magnitude. In this work we build upon previous work in the speech domain, adapting a speech enhancement diffusion model specifically for STFT phase retrieval. Evaluation using speech quality and intelligibility metrics shows the diffusion approach is well-suited to the phase retrieval task, with performance surpassing both classical and modern methods.

We present a novel form of Fourier analysis, and associated signal processing concepts, for signals (or data) indexed by edge-weighted directed acyclic graphs (DAGs). This means that our Fourier basis yields an eigendecomposition of a suitable notion of shift and convolution operators that we define. DAGs are the common model to capture causal relationships between data values and in this case our proposed Fourier analysis relates data with its causes under a linearity assumption that we define. The definition of the Fourier transform requires the transitive closure of the weighted DAG for which several forms are possible depending on the interpretation of the edge weights. Examples include level of influence, distance, or pollution distribution. Our framework is different from prior GSP: it is specific to DAGs and leverages, and extends, the classical theory of Moebius inversion from combinatorics. For a prototypical application we consider DAGs modeling dynamic networks in which edges change over time. Specifically, we model the spread of an infection on such a DAG obtained from real-world contact tracing data and learn the infection signal from samples assuming sparsity in the Fourier domain.

The logit outputs of a feedforward neural network at initialization are conditionally Gaussian, given a random covariance matrix defined by the penultimate layer. In this work, we study the distribution of this random matrix. Recent work has shown that shaping the activation function as network depth grows large is necessary for this covariance matrix to be non-degenerate. However, the current infinite-width-style understanding of this shaping method is unsatisfactory for large depth: infinite-width analyses ignore the microscopic fluctuations from layer to layer, but these fluctuations accumulate over many layers. To overcome this shortcoming, we study the random covariance matrix in the shaped infinite-depth-and-width limit. We identify the precise scaling of the activation function necessary to arrive at a non-trivial limit, and show that the random covariance matrix is governed by a stochastic differential equation (SDE) that we call the Neural Covariance SDE. Using simulations, we show that the SDE closely matches the distribution of the random covariance matrix of finite networks. Additionally, we recover an if-and-only-if condition for exploding and vanishing norms of large shaped networks based on the activation function.

Latent variable models such as the Variational Auto-Encoder (VAE) have become a go-to tool for analyzing biological data, especially in the field of single-cell genomics. One remaining challenge is the interpretability of latent variables as biological processes that define a cell's identity. Outside of biological applications, this problem is commonly referred to as learning disentangled representations. Although several disentanglement-promoting variants of the VAE were introduced, and applied to single-cell genomics data, this task has been shown to be infeasible from independent and identically distributed measurements, without additional structure. Instead, recent methods propose to leverage non-stationary data, as well as the sparse mechanism shift assumption in order to learn disentangled representations with a causal semantic. Here, we extend the application of these methodological advances to the analysis of single-cell genomics data with genetic or chemical perturbations. More precisely, we propose a deep generative model of single-cell gene expression data for which each perturbation is treated as a stochastic intervention targeting an unknown, but sparse, subset of latent variables. We benchmark these methods on simulated single-cell data to evaluate their performance at latent units recovery, causal target identification and out-of-domain generalization. Finally, we apply those approaches to two real-world large-scale gene perturbation data sets and find that models that exploit the sparse mechanism shift hypothesis surpass contemporary methods on a transfer learning task. We implement our new model and benchmarks using the scvi-tools library, and release it as open-source software at \url{https://github.com/Genentech/sVAE}.

Privacy, security, and bandwidth constraints have led to federated learning (FL) in wireless systems, where training a machine learning (ML) model is accomplished collaboratively without sharing raw data. Often, such collaborative FL strategies necessitate model aggregation at a server. On the other hand, decentralized FL necessitates that participating clients reach a consensus ML model by exchanging parameter updates. In this work, we propose the over-the-air clustered wireless FL (CWFL) strategy, which eliminates the need for a strong central server and yet achieves an accuracy similar to the server-based strategy while using fewer channel uses as compared to decentralized FL. We theoretically show that the convergence rate of CWFL per cluster is O(1/T) while mitigating the impact of noise. Using the MNIST and CIFAR datasets, we demonstrate the accuracy performance of CWFL for the different number of clusters across communication rounds.

The advances in deep learning (DL) techniques have the potential to deliver transformative technological breakthroughs to numerous complex tasks in modern power systems that suffer from increasing uncertainty and nonlinearity. However, the vulnerability of DL has yet to be thoroughly explored in power system tasks under various physical constraints. This work, for the first time, proposes a novel physics-constrained backdoor poisoning attack, which embeds the undetectable attack signal into the learned model and only performs the attack when it encounters the corresponding signal. The paper illustrates the proposed attack on the real-time fault line localization application. Furthermore, the simulation results on the 68-bus power system demonstrate that DL-based fault line localization methods are not robust to our proposed attack, indicating that backdoor poisoning attacks pose real threats to DL implementations in power systems. The proposed attack pipeline can be easily generalized to other power system tasks.

The debate around misinformation and its potentially detrimental effects on public opinion is complex and multifaceted, to the extent that even the relevant academic research has not found unanimity on the prevalence and consumption of misinformation compared with mainstream content. The methodological framework presented here emphasises the importance of considering data representative of the complexity of the phenomenon and metrics that control for possible scale effects. By combining statistical, econometric and machine learning models, we shed light on the real impact of misinformation about a subject of general interest and social relevance, such as vaccines, on both the information available to citizens and their news diet. Our results show the prominent role achieved by misinformation sources in the news ecosystem, but also - and above all - the inability of mainstream media to drive the public debate over time on issues that are particularly sensitive and emotional. Taking properly account for the temporal dynamics of public debate seems crucial to prevent the latter from moving into uncontrolled spaces where false narratives are more easily conveyed and entrenched.

Given a dataset of expert agent interactions with an environment of interest, a viable method to extract an effective agent policy is to estimate the maximum likelihood policy indicated by this data. This approach is commonly referred to as behavioral cloning (BC). In this work, we describe a key disadvantage of BC that arises due to the maximum likelihood objective function; namely that BC is mean-seeking with respect to the state-conditional expert action distribution when the learner's policy is represented with a Gaussian. To address this issue, we introduce a modified version of BC, Adversarial Behavioral Cloning (ABC), that exhibits mode-seeking behavior by incorporating elements of GAN (generative adversarial network) training. We evaluate ABC on toy domains and a domain based on Hopper from the DeepMind Control suite, and show that it outperforms standard BC by being mode-seeking in nature.  ( 2 min )

Planet formation is a multi-scale process in which the coagulation of $\mathrm{\mu m}$-sized dust grains in protoplanetary disks is strongly influenced by the hydrodynamic processes on scales of astronomical units ($\approx 1.5\times 10^8 \,\mathrm{km}$). Studies are therefore dependent on subgrid models to emulate the micro physics of dust coagulation on top of a large scale hydrodynamic simulation. Numerical simulations which include the relevant physical effects are complex and computationally expensive. Here, we present a fast and accurate learned effective model for dust coagulation, trained on data from high resolution numerical coagulation simulations. Our model captures details of the dust coagulation process that were so far not tractable with other dust coagulation prescriptions with similar computational efficiency.  ( 2 min )

Despite the huge advancement in knowledge discovery and data mining techniques, the X-ray diffraction (XRD) analysis process has mostly remained untouched and still involves manual investigation, comparison, and verification. Due to the large volume of XRD samples from high-throughput XRD experiments, it has become impossible for domain scientists to process them manually. Recently, they have started leveraging standard clustering techniques, to reduce the XRD pattern representations requiring manual efforts for labeling and verification. Nevertheless, these standard clustering techniques do not handle problem-specific aspects such as peak shifting, adjacent peaks, background noise, and mixed phases; hence, resulting in incorrect composition-phase diagrams that complicate further steps. Here, we leverage data mining techniques along with domain expertise to handle these issues. In this paper, we introduce an incremental phase mapping approach based on binary peak representations using a new threshold based fuzzy dissimilarity measure. The proposed approach first applies an incremental phase computation algorithm on discrete binary peak representation of XRD samples, followed by hierarchical clustering or manual merging of similar pure phases to obtain the final composition-phase diagram. We evaluate our method on the composition space of two ternary alloy systems- Co-Ni-Ta and Co-Ti-Ta. Our results are verified by domain scientists and closely resembles the manually computed ground-truth composition-phase diagrams. The proposed approach takes us closer towards achieving the goal of complete end-to-end automated XRD analysis.  ( 3 min )

Counterfactual explanations promote explainability in machine learning models by answering the question "how should an input instance be perturbed to obtain a desired predicted label?". The comparison of this instance before and after perturbation can enhance human interpretation. Most existing studies on counterfactual explanations are limited in tabular data or image data. In this work, we study the problem of counterfactual explanation generation on graphs. A few studies have explored counterfactual explanations on graphs, but many challenges of this problem are still not well-addressed: 1) optimizing in the discrete and disorganized space of graphs; 2) generalizing on unseen graphs; and 3) maintaining the causality in the generated counterfactuals without prior knowledge of the causal model. To tackle these challenges, we propose a novel framework CLEAR which aims to generate counterfactual explanations on graphs for graph-level prediction models. Specifically, CLEAR leverages a graph variational autoencoder based mechanism to facilitate its optimization and generalization, and promotes causality by leveraging an auxiliary variable to better identify the underlying causal model. Extensive experiments on both synthetic and real-world graphs validate the superiority of CLEAR over the state-of-the-art methods in different aspects.

Large language models have demonstrated the ability to condition on and generate both natural language and programming language text. Such models open up the possibility of multi-language code generation: could code generation models generalize knowledge from one language to another? Although contemporary code generation models can generate semantically correct Python code, little is known about their abilities with other languages. We facilitate the exploration of this topic by proposing MultiPL-E, the first multi-language parallel benchmark for natural-language-to-code-generation. MultiPL-E extends the HumanEval benchmark (Chen et al, 2021) to support 18 more programming languages, encompassing a range of programming paradigms and popularity. We evaluate two state-of-the-art code generation models on MultiPL-E: Codex and InCoder. We find that on several languages, Codex matches and even exceeds its performance on Python. The range of programming languages represented in MultiPL-E allow us to explore the impact of language frequency and language features on model performance. Finally, the MultiPL-E approach of compiling code generation benchmarks to new programming languages is both scalable and extensible. We describe a general approach for easily adding support for new benchmarks and languages to MultiPL-E.

Recently methods of graph neural networks (GNNs) have been applied to solving the problems in high energy physics (HEP) and have shown its great potential for quark-gluon tagging with graph representation of jet events. In this paper, we introduce an approach of GNNs combined with a HaarPooling operation to analyze the events, called HaarPooling Message Passing neural network (HMPNet). In HMPNet, HaarPooling not only extract the features of graph, but also embed additional information obtained by clustering of k-means of different particle observables. We construct Haarpooling from three different observables: absolute energy $\log E$, transverse momentum $\log p_T$ , and relative coordinates $(\Delta\eta,\Delta\phi)$, then discuss their impacts on the tagging and compare the results with those obtained via MPNN and ParticleNet (PN). The results show that an appropriate selection of information for HaarPooling enhance the accuracy of quark-gluon tagging, for adding extra information of $\log P_T$ to the HMPNet outperforms all the others, meanwhile adding relative coordinates information $(\Delta\eta,\Delta\phi)$ is not very beneficial.

Autonomous navigation in crowded spaces poses a challenge for mobile robots due to the highly dynamic, partially observable environment. Occlusions are highly prevalent in such settings due to a limited sensor field of view and obstructing human agents. Previous work has shown that observed interactive behaviors of human agents can be used to estimate potential obstacles despite occlusions. We propose integrating such social inference techniques into the planning pipeline. We use a variational autoencoder with a specially designed loss function to learn representations that are meaningful for occlusion inference. This work adopts a deep reinforcement learning approach to incorporate the learned representation for occlusion-aware planning. In simulation, our occlusion-aware policy achieves comparable collision avoidance performance to fully observable navigation by estimating agents in occluded spaces. We demonstrate successful policy transfer from simulation to the real-world Turtlebot 2i. To the best of our knowledge, this work is the first to use social occlusion inference for crowd navigation.

Data depth, introduced by Tukey (1975), is an important tool in data science, robust statistics, and computational geometry. One chief barrier to its broader practical utility is that many common measures of depth are computationally intensive, requiring on the order of $n^d$ operations to exactly compute the depth of a single point within a data set of $n$ points in $d$-dimensional space. Often however, we are not directly interested in the absolute depths of the points, but rather in their \textit{relative ordering}. For example, we may want to find the most central point in a data set (a generalized median), or to identify and remove all outliers (points on the fringe of the data set with low depth). With this observation, we develop a novel and instance-adaptive algorithm for adaptive data depth computation by reducing the problem of exactly computing $n$ depths to an $n$-armed stochastic multi-armed bandit problem which we can efficiently solve. We focus our exposition on simplicial depth, developed by \citet{liu1990notion}, which has emerged as a promising notion of depth due to its interpretability and asymptotic properties. We provide general instance-dependent theoretical guarantees for our proposed algorithms, which readily extend to many other common measures of data depth including majority depth, Oja depth, and likelihood depth. When specialized to the case where the gaps in the data follow a power law distribution with parameter $\alpha<2$, we show that we can reduce the complexity of identifying the deepest point in the data set (the simplicial median) from $O(n^d)$ to $\tilde{O}(n^{d-(d-1)\alpha/2})$, where $\tilde{O}$ suppresses logarithmic factors. We corroborate our theoretical results with numerical experiments on synthetic data, showing the practical utility of our proposed methods.

When Deep Neural Networks (DNNs) are used in safety-critical systems, engineers should determine the safety risks associated with failures (i.e., erroneous outputs) observed during testing. For DNNs processing images, engineers visually inspect all failure-inducing images to determine common characteristics among them. Such characteristics correspond to hazard-triggering events (e.g., low illumination) that are essential inputs for safety analysis. Though informative, such activity is expensive and error-prone. To support such safety analysis practices, we propose SEDE, a technique that generates readable descriptions for commonalities in failure-inducing, real-world images and improves the DNN through effective retraining. SEDE leverages the availability of simulators, which are commonly used for cyber-physical systems. It relies on genetic algorithms to drive simulators towards the generation of images that are similar to failure-inducing, real-world images in the test set; it then employs rule learning algorithms to derive expressions that capture commonalities in terms of simulator parameter values. The derived expressions are then used to generate additional images to retrain and improve the DNN. With DNNs performing in-car sensing tasks, SEDE successfully characterized hazard-triggering events leading to a DNN accuracy drop. Also, SEDE enabled retraining leading to significant improvements in DNN accuracy, up to 18 percentage points.

Several techniques to map various types of components, such as words, attributes, and images, into the embedded space have been studied. Most of them estimate the embedded representation of target entity as a point in the projective space. Some models, such as Word2Gauss, assume a probability distribution behind the embedded representation, which enables the spread or variance of the meaning of embedded target components to be captured and considered in more detail. We examine the method of estimating embedded representations as probability distributions for the interpretation of fashion-specific abstract and difficult-to-understand terms. Terms, such as "casual," "adult-casual,'' "beauty-casual," and "formal," are extremely subjective and abstract and are difficult for both experts and non-experts to understand, which discourages users from trying new fashion. We propose an end-to-end model called dual Gaussian visual-semantic embedding, which maps images and attributes in the same projective space and enables the interpretation of the meaning of these terms by its broad applications. We demonstrate the effectiveness of the proposed method through multifaceted experiments involving image and attribute mapping, image retrieval and re-ordering techniques, and a detailed theoretical/analytical discussion of the distance measure included in the loss function.